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SCH772984

CAS No.:
942183-80-4
Catalog Number:
AG00397E
Molecular Formula:
C33H33N9O2
Molecular Weight:
587.6742
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$97
- +
5mg
≥95%
1 week
United States
$239
- +
10mg
99%
1 week
United States
$357
- +
50mg
99%
1 week
United States
$957
- +
100mg
99%
1 week
United States
$1457
- +
200mg
99%
1 week
United States
$2390
- +
Product Description
Catalog Number:
AG00397E
Chemical Name:
SCH772984
CAS Number:
942183-80-4
Molecular Formula:
C33H33N9O2
Molecular Weight:
587.6742
MDL Number:
MFCD11878503
IUPAC Name:
(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
InChI:
InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
InChI Key:
HDAJDNHIBCDLQF-RUZDIDTESA-N
SMILES:
O=C(N1CCN(CC1)c1ccc(cc1)c1ncccn1)CN1CC[C@H](C1)C(=O)Nc1ccc2c(c1)c(n[nH]2)c1ccncc1
Properties
Complexity:
957  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
587.276g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
587.688g/mol
Monoisotopic Mass:
587.276g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. Journal of medicinal chemistry 20180614
Dysregulation of MAP Kinase Signaling Pathways Including p38MAPK, SAPK/JNK, and ERK1/2 in Cultured Rat Cerebellar Astrocytes Exposed to Diphenylarsinic Acid. Toxicological sciences : an official journal of the Society of Toxicology 20170401
Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of ERK1/2. Journal of medicinal chemistry 20150611
Discovery of a novel ERK inhibitor with activity in models of acquired resistance to BRAF and MEK inhibitors. Cancer discovery 20130701
Properties