V022-4075 Screening compound: 6-(4-benzylpiperazin-1-yl)-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

V022-4075 Screening compound: 6-(4-benzylpiperazin-1-yl)-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
V022-4075 Screening compound: 6-(4-benzylpiperazin-1-yl)-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-4075
6-(4-benzylpiperazin-1-yl)-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-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

V022-4075

Molecular Formula

C28H24F3N7 (C28 H24 F3 N7)

Compound Name

6-(4-benzylpiperazin-1-yl)-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

IUPAC name

6-(4-benzylpiperazin-1-yl)-2-(25-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[34-d]pyrimidin-3-amine

SMILES

Nc1c2c(-c3cc(F)ccc3)nc(N3CCN(Cc4ccccc4)CC3)nc2nn1-c(cc(cc1)F)c1F

InChI

InChI=1S/C28H24F3N7/c29-20-8-4-7-19(15-20)25-24-26(32)38(23-16-21(30)9-10-22(23)31)35-27(24)34-28(33-25)37-13-11-36(12-14-37)17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17,32H2

InChI Key

SUQMQFHXIPJYCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14250158

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.524

Distribution Coefficient, logD

5.416

Water Solubility, LogSw

-6.32

Polar Surface Area

59.061

Acid Dissociation Constant (pKa)

18.81

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V022-4075 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V022-4075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-4075?
Check Price and Availability of V022-4075, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V022-4075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-4075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-4075
  • 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 V022-4075 available by request