J023-0302 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3-fluorophenyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

J023-0302 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3-fluorophenyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
J023-0302 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3-fluorophenyl)-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 J023-0302
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3-fluorophenyl)-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

J023-0302

Molecular Formula

C21H16ClFN4O3S (C21 H16 ClFN4 O3 S)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3-fluorophenyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3-fluorophenyl)-47-dioxo-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

O=C(C(CC(N1)=O)C(C(N2)=O)=C1N=C2SCc1cccc(Cl)c1)Nc1cc(F)ccc1

InChI

InChI=1S/C21H16ClFN4O3S/c22-12-4-1-3-11(7-12)10-31-21-26-18-17(20(30)27-21)15(9-16(28)25-18)19(29)24-14-6-2-5-13(23)8-14/h1-8,15H,9-10H2,(H,24,29)(H2,25,26,27,28,30)/t15-/m0/s1

InChI Key

VVODATHAHRWOPX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27219173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.584

Distribution Coefficient, logD

2.576

Water Solubility, LogSw

-3.41

Polar Surface Area

81.231

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with J023-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J023-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J023-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J023-0302
  • 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 J023-0302 available by request