J026-3831 Screening compound: methyl 3-{[(4-chlorophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3831 Screening compound: methyl 3-{[(4-chlorophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3831 Screening compound: methyl 3-{[(4-chlorophenyl)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 J026-3831
methyl 3-{[(4-chlorophenyl)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

J026-3831

Molecular Formula

C19H17ClN4O5 (C19 H17 ClN4 O5)

Compound Name

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

IUPAC name

methyl 3-{[(4-chlorophenyl)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)ccc3Cl)=O)=O)c1C2=O

InChI

InChI=1S/C19H17ClN4O5/c1-10-8-13(18(27)29-3)15-16(21-10)23(2)19(28)24(17(15)26)9-14(25)22-12-6-4-11(20)5-7-12/h4-8H,9H2,1-3H3,(H,22,25)

InChI Key

UKRXUSSADUHVSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.82

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

2.829

Distribution Coefficient, logD

2.829

Water Solubility, LogSw

-3.78

Polar Surface Area

85.332

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

J026-3831 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 J026-3831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3831?
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What is the minimum amount of J026-3831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3831
  • 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 J026-3831 available by request