J026-3752 Screening compound: methyl 3-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3752 Screening compound: methyl 3-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3752 Screening compound: methyl 3-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]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 J026-3752
methyl 3-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]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

J026-3752

Molecular Formula

C22H19ClN4O5 (C22 H19 ClN4 O5)

Compound Name

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

IUPAC name

methyl 3-{[2-(2-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}-17-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

Cc1c(CN(C(c2c(N3C)nc(C)cc2C(OC)=O)=O)C3=O)nc(-c(cccc2)c2Cl)o1

InChI

InChI=1S/C22H19ClN4O5/c1-11-9-14(21(29)31-4)17-18(24-11)26(3)22(30)27(20(17)28)10-16-12(2)32-19(25-16)13-7-5-6-8-15(13)23/h5-9H,10H2,1-4H3

InChI Key

GKEWKPRZYUYUHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

3.642

Water Solubility, LogSw

-4.21

Polar Surface Area

80.305

Acid Dissociation Constant (pKa)

28.29

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

J026-3752 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J026-3752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3752?
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What is the minimum amount of J026-3752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3752
  • 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 J026-3752 available by request