C365-0052 Screening compound: N-(4-bromophenyl)-2-({4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide

C365-0052 Screening compound: N-(4-bromophenyl)-2-({4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
C365-0052 Screening compound: N-(4-bromophenyl)-2-({4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0052
N-(4-bromophenyl)-2-({4-oxo-1-phenyl-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

C365-0052

Molecular Formula

C19H14BrN5O2S (C19 H14 BrN5 O2 S)

Compound Name

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

IUPAC name

N-(4-bromophenyl)-2-({4-oxo-1-phenyl-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl}sulfanyl)acetamide

SMILES

O=C(CSC(N1)=Nc(n(-c2ccccc2)nc2)c2C1=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C19H14BrN5O2S/c20-12-6-8-13(9-7-12)22-16(26)11-28-19-23-17-15(18(27)24-19)10-21-25(17)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,26)(H,23,24,27)

InChI Key

LIIYFKJOPOCBCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.32

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

3.822

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-3.99

Polar Surface Area

71.601

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with C365-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0052?
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What is the minimum amount of C365-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0052
  • 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 C365-0052 available by request