J023-0100 Screening compound: 2-(butylsulfanyl)-N-(4-chlorophenyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

J023-0100 Screening compound: 2-(butylsulfanyl)-N-(4-chlorophenyl)-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
J023-0100 Screening compound: 2-(butylsulfanyl)-N-(4-chlorophenyl)-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 J023-0100
2-(butylsulfanyl)-N-(4-chlorophenyl)-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

J023-0100

Molecular Formula

C18H19ClN4O3S (C18 H19 ClN4 O3 S)

Compound Name

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

IUPAC name

2-(butylsulfanyl)-N-(4-chlorophenyl)-47-dioxo-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CCCCSC(N1)=NC(NC(CC2C(Nc(cc3)ccc3Cl)=O)=O)=C2C1=O

InChI

InChI=1S/C18H19ClN4O3S/c1-2-3-8-27-18-22-15-14(17(26)23-18)12(9-13(24)21-15)16(25)20-11-6-4-10(19)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,20,25)(H2,21,22,23,24,26)/t12-/m1/s1

InChI Key

JQVXYHGJOKZOJW-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27219019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.89

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

2.526

Distribution Coefficient, logD

2.512

Water Solubility, LogSw

-3.41

Polar Surface Area

81.503

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with J023-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J023-0100?
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What is the minimum amount of J023-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J023-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J023-0100
  • 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 J023-0100 available by request