J023-0435 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,4-dimethylphenyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

J023-0435 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,4-dimethylphenyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
J023-0435 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,4-dimethylphenyl)-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 J023-0435
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,4-dimethylphenyl)-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

J023-0435

Molecular Formula

C23H21ClN4O3S (C23 H21 ClN4 O3 S)

Compound Name

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

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(34-dimethylphenyl)-47-dioxo-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(C(CC(N1)=O)C(C(N2)=O)=C1N=C2SCc1cccc(Cl)c1)=O

InChI

InChI=1S/C23H21ClN4O3S/c1-12-6-7-16(8-13(12)2)25-21(30)17-10-18(29)26-20-19(17)22(31)28-23(27-20)32-11-14-4-3-5-15(24)9-14/h3-9,17H,10-11H2,1-2H3,(H,25,30)(H2,26,27,28,29,31)/t17-/m0/s1

InChI Key

CQSJDBXJMKLCRZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27219262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.96

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

3.418

Distribution Coefficient, logD

3.410

Water Solubility, LogSw

-3.80

Polar Surface Area

81.231

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with J023-0435 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 J023-0435
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J023-0435
  • 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 J023-0435 available by request