G749-0077 Screening compound: methyl 2-({[(4-fluorophenyl)(methyl)carbamoyl]methyl}sulfanyl)-1-methyl-4-oxo-7-(thiophen-2-yl)-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

G749-0077 Screening compound: methyl 2-({[(4-fluorophenyl)(methyl)carbamoyl]methyl}sulfanyl)-1-methyl-4-oxo-7-(thiophen-2-yl)-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
G749-0077 Screening compound: methyl 2-({[(4-fluorophenyl)(methyl)carbamoyl]methyl}sulfanyl)-1-methyl-4-oxo-7-(thiophen-2-yl)-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G749-0077
methyl 2-({[(4-fluorophenyl)(methyl)carbamoyl]methyl}sulfanyl)-1-methyl-4-oxo-7-(thiophen-2-yl)-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

G749-0077

Molecular Formula

C23H19FN4O4S2 (C23 H19 FN4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(C(CSC(N(C)c1c2c(C(OC)=O)cc(-c3cccs3)n1)=NC2=O)=O)c(cc1)ccc1F

InChI

InChI=1S/C23H19FN4O4S2/c1-27(14-8-6-13(24)7-9-14)18(29)12-34-23-26-21(30)19-15(22(31)32-3)11-16(17-5-4-10-33-17)25-20(19)28(23)2/h4-11H,12H2,1-3H3

InChI Key

HYGWRKCXTWNQSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.604

Distribution Coefficient, logD

3.604

Water Solubility, LogSw

-3.96

Polar Surface Area

72.479

Acid Dissociation Constant (pKa)

27.54

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G749-0077 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G749-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G749-0077?
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What is the minimum amount of G749-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G749-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G749-0077
  • 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 G749-0077 available by request