G862-0451 Screening compound: N-(3-acetamidophenyl)-2-{5-methoxy-4-oxo-2-[(pyrimidin-2-ylsulfanyl)methyl]-1,4-dihydropyridin-1-yl}acetamide

G862-0451 Screening compound: N-(3-acetamidophenyl)-2-{5-methoxy-4-oxo-2-[(pyrimidin-2-ylsulfanyl)methyl]-1,4-dihydropyridin-1-yl}acetamide
G862-0451 Screening compound: N-(3-acetamidophenyl)-2-{5-methoxy-4-oxo-2-[(pyrimidin-2-ylsulfanyl)methyl]-1,4-dihydropyridin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0451
N-(3-acetamidophenyl)-2-{5-methoxy-4-oxo-2-[(pyrimidin-2-ylsulfanyl)methyl]-1,4-dihydropyridin-1-yl}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G862-0451

Molecular Formula

C21H21N5O4S (C21 H21 N5 O4 S)

Compound Name

N-(3-acetamidophenyl)-2-{5-methoxy-4-oxo-2-[(pyrimidin-2-ylsulfanyl)methyl]-1,4-dihydropyridin-1-yl}acetamide

IUPAC name

N-(3-acetamidophenyl)-2-{5-methoxy-4-oxo-2-[(pyrimidin-2-ylsulfanyl)methyl]-14-dihydropyridin-1-yl}acetamide

SMILES

CC(Nc1cccc(NC(CN(C=C2OC)C(CSc3ncccn3)=CC2=O)=O)c1)=O

InChI

InChI=1S/C21H21N5O4S/c1-14(27)24-15-5-3-6-16(9-15)25-20(29)12-26-11-19(30-2)18(28)10-17(26)13-31-21-22-7-4-8-23-21/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,29)

InChI Key

ZEHHITDMYCEMST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08341773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.923

Distribution Coefficient, logD

0.923

Water Solubility, LogSw

-2.42

Polar Surface Area

87.642

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G862-0451 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G862-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0451?
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What is the minimum amount of G862-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0451
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G862-0451 available by request