C724-0452 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-3H,4H-pyrido[2,3-d]pyrimidin-4-one

C724-0452 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-3H,4H-pyrido[2,3-d]pyrimidin-4-one
C724-0452 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-3H,4H-pyrido[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C724-0452
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-3H,4H-pyrido[2,3-d]pyrimidin-4-one

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

C724-0452

Molecular Formula

C21H16ClN3O2S (C21 H16 ClN3 O2 S)

Compound Name

2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-3H,4H-pyrido[2,3-d]pyrimidin-4-one

IUPAC name

2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-3H4H-pyrido[23-d]pyrimidin-4-one

SMILES

COc1cccc(N2C(SCc(cc3)ccc3Cl)=Nc3ncccc3C2=O)c1

InChI

InChI=1S/C21H16ClN3O2S/c1-27-17-5-2-4-16(12-17)25-20(26)18-6-3-11-23-19(18)24-21(25)28-13-14-7-9-15(22)10-8-14/h2-12H,13H2,1H3

InChI Key

JVNLKSUMZYIUAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.63

Polar Surface Area

42.327

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with C724-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C724-0452?
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What is the minimum amount of C724-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C724-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C724-0452
  • 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 C724-0452 available by request