K829-0162 Screening compound: 5-(4-bromophenyl)-6-{[(2-chlorophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

K829-0162 Screening compound: 5-(4-bromophenyl)-6-{[(2-chlorophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
K829-0162 Screening compound: 5-(4-bromophenyl)-6-{[(2-chlorophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K829-0162
5-(4-bromophenyl)-6-{[(2-chlorophenyl)methyl]sulfanyl}-1H,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

K829-0162

Molecular Formula

C18H12BrClN4OS (C18 H12 BrClN4 OS)

Compound Name

5-(4-bromophenyl)-6-{[(2-chlorophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

5-(4-bromophenyl)-6-{[(2-chlorophenyl)methyl]sulfanyl}-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

O=C1N(c(cc2)ccc2Br)C(SCc(cccc2)c2Cl)=Nc2c1cn[nH]2

InChI

InChI=1S/C18H12BrClN4OS/c19-12-5-7-13(8-6-12)24-17(25)14-9-21-23-16(14)22-18(24)26-10-11-3-1-2-4-15(11)20/h1-9H,10H2,(H,21,23)

InChI Key

UWIFNAVSLBBICM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.74

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

4.700

Distribution Coefficient, logD

4.699

Water Solubility, LogSw

-4.84

Polar Surface Area

49.426

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with K829-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K829-0162?
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What is the minimum amount of K829-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K829-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K829-0162
  • 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 K829-0162 available by request