Name: Name:4-Methylbenzyl (3S,4R)-3-fluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate
Brand: Angene
SKU: AG0039ZV
Rating: 90 (10 reviews)

4-Methylbenzyl (3S,4R)-3-fluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

CAS No.:

808732-98-1

Catalog Number:

AG0039ZV

Molecular Formula:

C19H23FN4O2

Molecular Weight:

358.4099

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

98%

1 week

United States

$307

- +

5mg

98%

1 week

United States

$807

- +

10mg

98%

1 week

United States

$1307

- +

50mg

98%

1 week

United States

$3807

- +

Product Description

Catalog Number:

AG0039ZV

Chemical Name:

4-Methylbenzyl (3S,4R)-3-fluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

CAS Number:

808732-98-1

Molecular Formula:

C19H23FN4O2

Molecular Weight:

358.4099

MDL Number:

MFCD14635204

IUPAC Name:

(4-methylphenyl)methyl (3S,4R)-3-fluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

InChI:

InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1

InChI Key:

RECBFDWSXWAXHY-IAGOWNOFSA-N

SMILES:

F[C@@H]1CN(CC[C@@H]1CNc1ncccn1)C(=O)OCc1ccc(cc1)C

UNII:

5HAM167S5T

Properties

Complexity:

439

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

358.181g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

358.417g/mol

Monoisotopic Mass:

358.181g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
A Randomized, placebo-controlled, crossover pilot trial of the oral selective NR2B antagonist MK-0657 in patients with treatment-resistant major depressive disorder.	Journal of clinical psychopharmacology 20120801
Single-dose administration of MK-0657, an NR2B-selective NMDA antagonist, does not result in clinically meaningful improvement in motor function in patients with moderate Parkinson's disease.	Journal of clinical pharmacology 20090701

Properties