J023-0125 Screening compound: 4,7-dioxo-N-phenyl-2-[(2-phenylethyl)sulfanyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

J023-0125 Screening compound: 4,7-dioxo-N-phenyl-2-[(2-phenylethyl)sulfanyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
J023-0125 Screening compound: 4,7-dioxo-N-phenyl-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 J023-0125
4,7-dioxo-N-phenyl-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

J023-0125

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC(N1)=O)C(C(N2)=O)=C1N=C2SCCc1ccccc1)Nc1ccccc1

InChI

InChI=1S/C22H20N4O3S/c27-17-13-16(20(28)23-15-9-5-2-6-10-15)18-19(24-17)25-22(26-21(18)29)30-12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,23,28)(H2,24,25,26,27,29)/t16-/m0/s1

InChI Key

CQTGDJWNGBSYOH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27219034

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

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.113

Distribution Coefficient, logD

2.091

Water Solubility, LogSw

-2.84

Polar Surface Area

81.231

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

J023-0125 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J023-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J023-0125?
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What is the minimum amount of J023-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J023-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J023-0125
  • 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 J023-0125 available by request