K643-0612 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[5-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

K643-0612 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[5-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
K643-0612 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[5-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K643-0612
N-(3-chloro-4-methylphenyl)-2-{[5-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

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

K643-0612

Molecular Formula

C20H15Cl2N5O2S (C20 H15 Cl2 N5 O2 S)

Compound Name

N-(3-chloro-4-methylphenyl)-2-{[5-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-{[5-(4-chlorophenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}acetamide

SMILES

Cc(ccc(NC(CSC(N1c(cc2)ccc2Cl)=Nc([nH]nc2)c2C1=O)=O)c1)c1Cl

InChI

InChI=1S/C20H15Cl2N5O2S/c1-11-2-5-13(8-16(11)22)24-17(28)10-30-20-25-18-15(9-23-26-18)19(29)27(20)14-6-3-12(21)4-7-14/h2-9H,10H2,1H3,(H,23,26)(H,24,28)

InChI Key

HWNGXRNAOXFXAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.589

Water Solubility, LogSw

-4.73

Polar Surface Area

72.576

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with K643-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K643-0612?
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What is the minimum amount of K643-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K643-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K643-0612
  • 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 K643-0612 available by request