J023-0007 Screening compound: N-(4-chlorophenyl)-2-(methylsulfanyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

J023-0007 Screening compound: N-(4-chlorophenyl)-2-(methylsulfanyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
J023-0007 Screening compound: N-(4-chlorophenyl)-2-(methylsulfanyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J023-0007
N-(4-chlorophenyl)-2-(methylsulfanyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

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

J023-0007

Molecular Formula

C15H13ClN4O3S (C15 H13 ClN4 O3 S)

Compound Name

N-(4-chlorophenyl)-2-(methylsulfanyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-(4-chlorophenyl)-2-(methylsulfanyl)-47-dioxo-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CSC(N1)=NC(NC(CC2C(Nc(cc3)ccc3Cl)=O)=O)=C2C1=O

InChI

InChI=1S/C15H13ClN4O3S/c1-24-15-19-12-11(14(23)20-15)9(6-10(21)18-12)13(22)17-8-4-2-7(16)3-5-8/h2-5,9H,6H2,1H3,(H,17,22)(H2,18,19,20,21,23)/t9-/m1/s1

InChI Key

PWQSIXRGCUFILH-SECBINFHSA-N

MDL Number (MFCD)

MFCD27644406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.983

Distribution Coefficient, logD

0.961

Water Solubility, LogSw

-2.62

Polar Surface Area

81.503

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

J023-0007 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with J023-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J023-0007?
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What is the minimum amount of J023-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J023-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J023-0007
  • 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 J023-0007 available by request