J026-3768 Screening compound: methyl 3-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3768 Screening compound: methyl 3-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3768 Screening compound: methyl 3-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3768
methyl 3-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,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

J026-3768

Molecular Formula

C19H16ClFN4O5 (C19 H16 ClFN4 O5)

Compound Name

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

IUPAC name

methyl 3-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-17-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

Cc(cc1C(OC)=O)nc(N(C)C(N2CC(Nc(cc3)cc(Cl)c3F)=O)=O)c1C2=O

InChI

InChI=1S/C19H16ClFN4O5/c1-9-6-11(18(28)30-3)15-16(22-9)24(2)19(29)25(17(15)27)8-14(26)23-10-4-5-13(21)12(20)7-10/h4-7H,8H2,1-3H3,(H,23,26)

InChI Key

RRYFSQSAKYOZKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.81

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.64

Polar Surface Area

85.332

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

J026-3768 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with J026-3768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3768?
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What is the minimum amount of J026-3768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3768
  • 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 J026-3768 available by request