J023-0208 Screening compound: 2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dioxo-N-phenyl-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

J023-0208 Screening compound: 2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dioxo-N-phenyl-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
J023-0208 Screening compound: 2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dioxo-N-phenyl-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J023-0208
2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dioxo-N-phenyl-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

J023-0208

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N2)=NC(NC(CC3C(Nc4ccccc4)=O)=O)=C3C2=O)cccc1

InChI

InChI=1S/C22H20N4O3S/c1-13-7-5-6-8-14(13)12-30-22-25-19-18(21(29)26-22)16(11-17(27)24-19)20(28)23-15-9-3-2-4-10-15/h2-10,16H,11-12H2,1H3,(H,23,28)(H2,24,25,26,27,29)/t16-/m0/s1

InChI Key

QGMBPNCWNYSXFU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27219098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

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

2.384

Distribution Coefficient, logD

2.376

Water Solubility, LogSw

-2.69

Polar Surface Area

81.231

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with J023-0208 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 J023-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J023-0208
  • 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 J023-0208 available by request