J023-0042 Screening compound: 2-(ethylsulfanyl)-N-(2-fluorophenyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

J023-0042 Screening compound: 2-(ethylsulfanyl)-N-(2-fluorophenyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
J023-0042 Screening compound: 2-(ethylsulfanyl)-N-(2-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 J023-0042
2-(ethylsulfanyl)-N-(2-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

J023-0042

Molecular Formula

C16H15FN4O3S (C16 H15 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCSC(N1)=NC(NC(CC2C(Nc(cccc3)c3F)=O)=O)=C2C1=O

InChI

InChI=1S/C16H15FN4O3S/c1-2-25-16-20-13-12(15(24)21-16)8(7-11(22)19-13)14(23)18-10-6-4-3-5-9(10)17/h3-6,8H,2,7H2,1H3,(H,18,23)(H2,19,20,21,22,24)/t8-/m0/s1

InChI Key

QORFCKRKFIKMSX-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD27218967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.905

Distribution Coefficient, logD

0.892

Water Solubility, LogSw

-2.27

Polar Surface Area

80.805

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with J023-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J023-0042?
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What is the minimum amount of J023-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J023-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J023-0042
  • 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 J023-0042 available by request