V020-2931 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-6-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

V020-2931 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-6-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
V020-2931 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-6-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-2931
4-(2H-1,3-benzodioxol-5-yl)-6-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

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

V020-2931

Molecular Formula

C30H27ClN6O2 (C30 H27 ClN6 O2)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-6-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

IUPAC name

4-(2H-13-benzodioxol-5-yl)-6-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)-2H-pyrazolo[34-d]pyrimidin-3-amine

SMILES

Nc1c2c(-c(cc3)cc4c3OCO4)nc(N3CCC(Cc4ccccc4)CC3)nc2nn1-c(cc1)ccc1Cl

InChI

InChI=1S/C30H27ClN6O2/c31-22-7-9-23(10-8-22)37-28(32)26-27(21-6-11-24-25(17-21)39-18-38-24)33-30(34-29(26)35-37)36-14-12-20(13-15-36)16-19-4-2-1-3-5-19/h1-11,17,20H,12-16,18,32H2

InChI Key

LGBKKLZRBXVBHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14249745

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.389

Distribution Coefficient, logD

7.388

Water Solubility, LogSw

-6.80

Polar Surface Area

72.665

Acid Dissociation Constant (pKa)

19.74

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V020-2931 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V020-2931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-2931?
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What is the minimum amount of V020-2931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-2931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-2931
  • 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 V020-2931 available by request