K781-6139 Screening compound: 2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide

K781-6139 Screening compound: 2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
K781-6139 Screening compound: 2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-6139
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)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

K781-6139

Molecular Formula

C22H20Cl2N6OS (C22 H20 Cl2 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc([nH]nc1N=C(N2c(cc3)cc(C)c3Cl)SCC(Nc3cc(Cl)c(C)cc3)=O)c1C2=N

InChI

InChI=1S/C22H20Cl2N6OS/c1-11-4-5-14(9-17(11)24)26-18(31)10-32-22-27-21-19(13(3)28-29-21)20(25)30(22)15-6-7-16(23)12(2)8-15/h4-9,25H,10H2,1-3H3,(H,26,31)(H,28,29)

InChI Key

UJIOYWMIIVERRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.883

Distribution Coefficient, logD

0.949

Water Solubility, LogSw

-6.33

Polar Surface Area

75.918

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

12.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with K781-6139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-6139?
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What is the minimum amount of K781-6139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-6139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-6139
  • 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 K781-6139 available by request