G749-0025 Screening compound: methyl 2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-1-ethyl-7-methyl-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

G749-0025 Screening compound: methyl 2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-1-ethyl-7-methyl-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
G749-0025 Screening compound: methyl 2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-1-ethyl-7-methyl-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G749-0025
methyl 2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-1-ethyl-7-methyl-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

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

G749-0025

Molecular Formula

C21H21ClN4O4S (C21 H21 ClN4 O4 S)

Compound Name

methyl 2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-1-ethyl-7-methyl-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

methyl 2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-1-ethyl-7-methyl-4-oxo-1H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

CCN(c1c2c(C(OC)=O)cc(C)n1)C(SCC(Nc(ccc(C)c1)c1Cl)=O)=NC2=O

InChI

InChI=1S/C21H21ClN4O4S/c1-5-26-18-17(13(20(29)30-4)9-12(3)23-18)19(28)25-21(26)31-10-16(27)24-15-7-6-11(2)8-14(15)22/h6-9H,5,10H2,1-4H3,(H,24,27)

InChI Key

UTFQZEBTSDFOHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27155692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-4.36

Polar Surface Area

78.836

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G749-0025 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G749-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G749-0025?
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What is the minimum amount of G749-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G749-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G749-0025
  • 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 G749-0025 available by request