V031-0432 Screening compound: 1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

V031-0432 Screening compound: 1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine
V031-0432 Screening compound: 1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0432
1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

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

V031-0432

Molecular Formula

C32H31F3N6 (C32 H31 F3 N6)

Compound Name

1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

IUPAC name

1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

SMILES

Cc(c1c2nc(Cc3ccc(C)cc3)nc1N1CCN(Cc3ccc(C(F)(F)F)cc3)CC1)nn2-c1ccccc1

InChI

InChI=1S/C32H31F3N6/c1-22-8-10-24(11-9-22)20-28-36-30(29-23(2)38-41(31(29)37-28)27-6-4-3-5-7-27)40-18-16-39(17-19-40)21-25-12-14-26(15-13-25)32(33,34)35/h3-15H,16-21H2,1-2H3

InChI Key

OBSZHGCVJUVLMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858107

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

556.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.858

Distribution Coefficient, logD

6.632

Water Solubility, LogSw

-6.32

Polar Surface Area

41.234

Acid Dissociation Constant (pKa)

21.11

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

V031-0432 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V031-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0432?
Check Price and Availability of V031-0432, 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 V031-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0432
  • 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 V031-0432 available by request