V013-9428 Screening compound: 2-(4-chlorophenyl)-4-phenyl-N6-[2-(pyridin-2-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V013-9428 Screening compound: 2-(4-chlorophenyl)-4-phenyl-N6-[2-(pyridin-2-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V013-9428 Screening compound: 2-(4-chlorophenyl)-4-phenyl-N6-[2-(pyridin-2-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9428
2-(4-chlorophenyl)-4-phenyl-N6-[2-(pyridin-2-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

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

V013-9428

Molecular Formula

C24H20ClN7 (C24 H20 ClN7)

Compound Name

2-(4-chlorophenyl)-4-phenyl-N6-[2-(pyridin-2-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

2-(4-chlorophenyl)-4-phenyl-N6-[2-(pyridin-2-yl)ethyl]-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

Nc1c2c(-c3ccccc3)nc(NCCc3ncccc3)nc2nn1-c(cc1)ccc1Cl

InChI

InChI=1S/C24H20ClN7/c25-17-9-11-19(12-10-17)32-22(26)20-21(16-6-2-1-3-7-16)29-24(30-23(20)31-32)28-15-13-18-8-4-5-14-27-18/h1-12,14H,13,15,26H2,(H,28,30,31)

InChI Key

DVMDLJAZQASWDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248320

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.515

Distribution Coefficient, logD

4.503

Water Solubility, LogSw

-4.93

Polar Surface Area

74.195

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

V013-9428 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 V013-9428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9428?
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What is the minimum amount of V013-9428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9428
  • 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 V013-9428 available by request