J023-0133 Screening compound: N-(3-fluorophenyl)-4,7-dioxo-2-[(2-phenylethyl)sulfanyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

J023-0133 Screening compound: N-(3-fluorophenyl)-4,7-dioxo-2-[(2-phenylethyl)sulfanyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
J023-0133 Screening compound: N-(3-fluorophenyl)-4,7-dioxo-2-[(2-phenylethyl)sulfanyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J023-0133
N-(3-fluorophenyl)-4,7-dioxo-2-[(2-phenylethyl)sulfanyl]-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

J023-0133

Molecular Formula

C22H19FN4O3S (C22 H19 FN4 O3 S)

Compound Name

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

IUPAC name

N-(3-fluorophenyl)-47-dioxo-2-[(2-phenylethyl)sulfanyl]-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

O=C(C(CC(N1)=O)C(C(N2)=O)=C1N=C2SCCc1ccccc1)Nc1cc(F)ccc1

InChI

InChI=1S/C22H19FN4O3S/c23-14-7-4-8-15(11-14)24-20(29)16-12-17(28)25-19-18(16)21(30)27-22(26-19)31-10-9-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H,24,29)(H2,25,26,27,28,30)/t16-/m0/s1

InChI Key

LLGKJTBRHBKUJK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27219041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.458

Distribution Coefficient, logD

2.436

Water Solubility, LogSw

-2.97

Polar Surface Area

81.231

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with J023-0133 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 J023-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J023-0133
  • 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 J023-0133 available by request