G749-0103 Screening compound: methyl 2-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1-cyclopropyl-7-methyl-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

G749-0103 Screening compound: methyl 2-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1-cyclopropyl-7-methyl-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
G749-0103 Screening compound: methyl 2-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1-cyclopropyl-7-methyl-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G749-0103
methyl 2-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1-cyclopropyl-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

G749-0103

Molecular Formula

C21H18ClFN4O4S (C21 H18 ClFN4 O4 S)

Compound Name

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

IUPAC name

methyl 2-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1-cyclopropyl-7-methyl-4-oxo-1H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

Cc(cc1C(OC)=O)nc(N(C2CC2)C(SCC(Nc(cc2)cc(Cl)c2F)=O)=N2)c1C2=O

InChI

InChI=1S/C21H18ClFN4O4S/c1-10-7-13(20(30)31-2)17-18(24-10)27(12-4-5-12)21(26-19(17)29)32-9-16(28)25-11-3-6-15(23)14(22)8-11/h3,6-8,12H,4-5,9H2,1-2H3,(H,25,28)

InChI Key

AFGLAUSXVGZFGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.92

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

3.985

Distribution Coefficient, logD

3.980

Water Solubility, LogSw

-4.60

Polar Surface Area

79.090

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G749-0103 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G749-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G749-0103?
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What is the minimum amount of G749-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G749-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G749-0103
  • 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 G749-0103 available by request