G749-0019 Screening compound: methyl 2-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1-ethyl-7-methyl-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

G749-0019 Screening compound: methyl 2-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1-ethyl-7-methyl-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
G749-0019 Screening compound: methyl 2-({[(3-chloro-4-fluorophenyl)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 G749-0019
methyl 2-({[(3-chloro-4-fluorophenyl)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

G749-0019

Molecular Formula

C20H18ClFN4O4S (C20 H18 ClFN4 O4 S)

Compound Name

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

SMILES

CCN(c1c2c(C(OC)=O)cc(C)n1)C(SCC(Nc(cc1)cc(Cl)c1F)=O)=NC2=O

InChI

InChI=1S/C20H18ClFN4O4S/c1-4-26-17-16(12(19(29)30-3)7-10(2)23-17)18(28)25-20(26)31-9-15(27)24-11-5-6-14(22)13(21)8-11/h5-8H,4,9H2,1-3H3,(H,24,27)

InChI Key

ZFPLHVURSXXLPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.9

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

3.816

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.47

Polar Surface Area

79.533

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G749-0019 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 G749-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G749-0019?
Check Price and Availability of G749-0019, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G749-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G749-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G749-0019
  • 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 G749-0019 available by request