K784-2182 Screening compound: 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

K784-2182 Screening compound: 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
K784-2182 Screening compound: 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-2182
6-{[(4-chlorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-2H,4H,5H-pyrazolo[3,4-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

K784-2182

Molecular Formula

C19H15ClN4OS (C19 H15 ClN4 OS)

Compound Name

6-{[(4-chlorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

6-{[(4-chlorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-2H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

Cc(cc1)ccc1N1C(SCc(cc2)ccc2Cl)=Nc2n[nH]cc2C1=O

InChI

InChI=1S/C19H15ClN4OS/c1-12-2-8-15(9-3-12)24-18(25)16-10-21-23-17(16)22-19(24)26-11-13-4-6-14(20)7-5-13/h2-10H,11H2,1H3,(H,21,23)

InChI Key

AUNWSYAHXAUTLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.50

Polar Surface Area

49.426

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

K784-2182 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-2182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-2182?
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What is the minimum amount of K784-2182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-2182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-2182
  • 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 K784-2182 available by request