G862-0447 Screening compound: 2-{5-methoxy-4-oxo-2-[(pyrimidin-2-ylsulfanyl)methyl]-1,4-dihydropyridin-1-yl}-N-(prop-2-en-1-yl)acetamide

G862-0447 Screening compound: 2-{5-methoxy-4-oxo-2-[(pyrimidin-2-ylsulfanyl)methyl]-1,4-dihydropyridin-1-yl}-N-(prop-2-en-1-yl)acetamide
G862-0447 Screening compound: 2-{5-methoxy-4-oxo-2-[(pyrimidin-2-ylsulfanyl)methyl]-1,4-dihydropyridin-1-yl}-N-(prop-2-en-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0447
2-{5-methoxy-4-oxo-2-[(pyrimidin-2-ylsulfanyl)methyl]-1,4-dihydropyridin-1-yl}-N-(prop-2-en-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

G862-0447

Molecular Formula

C16H18N4O3S (C16 H18 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC1=CN(CC(NCC=C)=O)C(CSc2ncccn2)=CC1=O

InChI

InChI=1S/C16H18N4O3S/c1-3-5-17-15(22)10-20-9-14(23-2)13(21)8-12(20)11-24-16-18-6-4-7-19-16/h3-4,6-9H,1,5,10-11H2,2H3,(H,17,22)

InChI Key

KKVQQWXLIDJDKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08341769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.031

Distribution Coefficient, logD

0.031

Water Solubility, LogSw

-2.07

Polar Surface Area

65.816

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G862-0447 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 G862-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0447?
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What is the minimum amount of G862-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0447
  • 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 G862-0447 available by request