V017-3613 Screening compound: 2-benzyl-4-(4-fluorophenyl)-6-(4-phenethylpiperazino)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

V017-3613 Screening compound: 2-benzyl-4-(4-fluorophenyl)-6-(4-phenethylpiperazino)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
V017-3613 Screening compound: 2-benzyl-4-(4-fluorophenyl)-6-(4-phenethylpiperazino)-2H-pyrazolo[3,4-d]pyrimidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3613
2-benzyl-4-(4-fluorophenyl)-6-(4-phenethylpiperazino)-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

V017-3613

Molecular Formula

C30H30FN7 (C30 H30 FN7)

Compound Name

2-benzyl-4-(4-fluorophenyl)-6-(4-phenethylpiperazino)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

IUPAC name

2-benzyl-4-(4-fluorophenyl)-6-[4-(2-phenylethyl)piperazin-1-yl]-2H-pyrazolo[34-d]pyrimidin-3-amine

SMILES

Nc1c2c(-c(cc3)ccc3F)nc(N3CCN(CCc4ccccc4)CC3)nc2nn1Cc1ccccc1

InChI

InChI=1S/C30H30FN7/c31-25-13-11-24(12-14-25)27-26-28(32)38(21-23-9-5-2-6-10-23)35-29(26)34-30(33-27)37-19-17-36(18-20-37)16-15-22-7-3-1-4-8-22/h1-14H,15-21,32H2

InChI Key

MOBYYPNHSVEATI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248501

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.237

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-5.66

Polar Surface Area

59.204

Acid Dissociation Constant (pKa)

20.00

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.33

V017-3613 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 V017-3613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3613?
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What is the minimum amount of V017-3613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3613
  • 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 V017-3613 available by request