V021-1337 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-6-{4-[2-(piperidin-1-yl)ethyl]piperazin-1-yl}-2H-pyrazolo[3,4-d]pyrimidin-3-amine

V021-1337 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-6-{4-[2-(piperidin-1-yl)ethyl]piperazin-1-yl}-2H-pyrazolo[3,4-d]pyrimidin-3-amine
V021-1337 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-6-{4-[2-(piperidin-1-yl)ethyl]piperazin-1-yl}-2H-pyrazolo[3,4-d]pyrimidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1337
4-(2H-1,3-benzodioxol-5-yl)-2-methyl-6-{4-[2-(piperidin-1-yl)ethyl]piperazin-1-yl}-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

V021-1337

Molecular Formula

C24H32N8O2 (C24 H32 N8 O2)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-2-methyl-6-{4-[2-(piperidin-1-yl)ethyl]piperazin-1-yl}-2H-pyrazolo[3,4-d]pyrimidin-3-amine

IUPAC name

4-(2H-13-benzodioxol-5-yl)-2-methyl-6-{4-[2-(piperidin-1-yl)ethyl]piperazin-1-yl}-2H-pyrazolo[34-d]pyrimidin-3-amine

SMILES

Cn(c(N)c12)nc2nc(N2CCN(CCN3CCCCC3)CC2)nc1-c(cc1)cc2c1OCO2

InChI

InChI=1S/C24H32N8O2/c1-29-22(25)20-21(17-5-6-18-19(15-17)34-16-33-18)26-24(27-23(20)28-29)32-13-11-31(12-14-32)10-9-30-7-3-2-4-8-30/h5-6,15H,2-4,7-14,16,25H2,1H3

InChI Key

GMPXFTFDNHQIEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14249782

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

1.483

Water Solubility, LogSw

-2.81

Polar Surface Area

80.860

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

8.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

V021-1337 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 V021-1337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1337?
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What is the minimum amount of V021-1337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1337
  • 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 V021-1337 available by request