J023-0438 Screening compound: N-(3,5-difluorophenyl)-2-(methylsulfanyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

J023-0438 Screening compound: N-(3,5-difluorophenyl)-2-(methylsulfanyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
J023-0438 Screening compound: N-(3,5-difluorophenyl)-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 J023-0438
N-(3,5-difluorophenyl)-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

J023-0438

Molecular Formula

C15H12F2N4O3S (C15 H12 F2 N4 O3 S)

Compound Name

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

IUPAC name

N-(35-difluorophenyl)-2-(methylsulfanyl)-47-dioxo-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CSC(N1)=NC(NC(CC2C(Nc3cc(F)cc(F)c3)=O)=O)=C2C1=O

InChI

InChI=1S/C15H12F2N4O3S/c1-25-15-20-12-11(14(24)21-15)9(5-10(22)19-12)13(23)18-8-3-6(16)2-7(17)4-8/h2-4,9H,5H2,1H3,(H,18,23)(H2,19,20,21,22,24)/t9-/m0/s1

InChI Key

QYMAPUHMVZMXMT-VIFPVBQESA-N

MDL Number (MFCD)

MFCD27219264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.35

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

0.850

Distribution Coefficient, logD

0.829

Water Solubility, LogSw

-2.26

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

J023-0438 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J023-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J023-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J023-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J023-0438
  • 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 J023-0438 available by request