J026-4067 Screening compound: methyl 3-{[(3-chlorophenyl)carbamoyl]methyl}-7-cyclopropyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-4067 Screening compound: methyl 3-{[(3-chlorophenyl)carbamoyl]methyl}-7-cyclopropyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-4067 Screening compound: methyl 3-{[(3-chlorophenyl)carbamoyl]methyl}-7-cyclopropyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-4067
methyl 3-{[(3-chlorophenyl)carbamoyl]methyl}-7-cyclopropyl-1-methyl-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

J026-4067

Molecular Formula

C21H19ClN4O5 (C21 H19 ClN4 O5)

Compound Name

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

IUPAC name

methyl 3-{[(3-chlorophenyl)carbamoyl]methyl}-7-cyclopropyl-1-methyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

CN(c(nc(C1CC1)cc1C(OC)=O)c1C(N1CC(Nc2cccc(Cl)c2)=O)=O)C1=O

InChI

InChI=1S/C21H19ClN4O5/c1-25-18-17(14(20(29)31-2)9-15(24-18)11-6-7-11)19(28)26(21(25)30)10-16(27)23-13-5-3-4-12(22)8-13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,23,27)

InChI Key

KGMBRQNFWDQHJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12130003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.86

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-4.47

Polar Surface Area

85.778

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

J026-4067 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J026-4067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-4067?
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What is the minimum amount of J026-4067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-4067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-4067
  • 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 J026-4067 available by request