J023-0168 Screening compound: N-(3-chloro-4-methylphenyl)-4,7-dioxo-2-(prop-2-en-1-ylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

J023-0168 Screening compound: N-(3-chloro-4-methylphenyl)-4,7-dioxo-2-(prop-2-en-1-ylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
J023-0168 Screening compound: N-(3-chloro-4-methylphenyl)-4,7-dioxo-2-(prop-2-en-1-ylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J023-0168
N-(3-chloro-4-methylphenyl)-4,7-dioxo-2-(prop-2-en-1-ylsulfanyl)-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

J023-0168

Molecular Formula

C18H17ClN4O3S (C18 H17 ClN4 O3 S)

Compound Name

N-(3-chloro-4-methylphenyl)-4,7-dioxo-2-(prop-2-en-1-ylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-(3-chloro-4-methylphenyl)-47-dioxo-2-(prop-2-en-1-ylsulfanyl)-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

Cc(ccc(NC(C(CC(N1)=O)C(C(N2)=O)=C1N=C2SCC=C)=O)c1)c1Cl

InChI

InChI=1S/C18H17ClN4O3S/c1-3-6-27-18-22-15-14(17(26)23-18)11(8-13(24)21-15)16(25)20-10-5-4-9(2)12(19)7-10/h3-5,7,11H,1,6,8H2,2H3,(H,20,25)(H2,21,22,23,24,26)/t11-/m1/s1

InChI Key

LTTMNODSYQWGCM-LLVKDONJSA-N

MDL Number (MFCD)

MFCD27219069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.88

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

2.462

Distribution Coefficient, logD

2.452

Water Solubility, LogSw

-3.36

Polar Surface Area

81.503

Acid Dissociation Constant (pKa)

6.71

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with J023-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J023-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J023-0168
  • 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 J023-0168 available by request