V013-4528 Screening compound: 2-benzyl-4-(4-chlorophenyl)-N6-[2-(piperidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V013-4528 Screening compound: 2-benzyl-4-(4-chlorophenyl)-N6-[2-(piperidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V013-4528 Screening compound: 2-benzyl-4-(4-chlorophenyl)-N6-[2-(piperidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4528
2-benzyl-4-(4-chlorophenyl)-N6-[2-(piperidin-1-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

V013-4528

Molecular Formula

C25H28ClN7 (C25 H28 ClN7)

Compound Name

2-benzyl-4-(4-chlorophenyl)-N6-[2-(piperidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

2-benzyl-4-(4-chlorophenyl)-N6-[2-(piperidin-1-yl)ethyl]-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

Nc1c2c(-c(cc3)ccc3Cl)nc(NCCN3CCCCC3)nc2nn1Cc1ccccc1

InChI

InChI=1S/C25H28ClN7/c26-20-11-9-19(10-12-20)22-21-23(27)33(17-18-7-3-1-4-8-18)31-24(21)30-25(29-22)28-13-16-32-14-5-2-6-15-32/h1,3-4,7-12H,2,5-6,13-17,27H2,(H,28,30,31)

InChI Key

FYDCXZDXPUJQNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248639

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.595

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-4.92

Polar Surface Area

68.498

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V013-4528 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 V013-4528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4528?
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What is the minimum amount of V013-4528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4528
  • 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 V013-4528 available by request