V006-2986 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)benzoyl]piperazine

V006-2986 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)benzoyl]piperazine
V006-2986 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-2986
1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)benzoyl]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

V006-2986

Molecular Formula

C31H27F3N6O (C31 H27 F3 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2nc(Cc3ccccc3)nc1N(CC1)CCN1C(c1cccc(C(F)(F)F)c1)=O)nn2-c1ccccc1

InChI

InChI=1S/C31H27F3N6O/c1-21-27-28(38-15-17-39(18-16-38)30(41)23-11-8-12-24(20-23)31(32,33)34)35-26(19-22-9-4-2-5-10-22)36-29(27)40(37-21)25-13-6-3-7-14-25/h2-14,20H,15-19H2,1H3

InChI Key

PCRGPISKIXIJKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853978

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

556.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.756

Distribution Coefficient, logD

5.654

Water Solubility, LogSw

-6.04

Polar Surface Area

54.150

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

V006-2986 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with V006-2986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-2986?
Check Price and Availability of V006-2986, 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 V006-2986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-2986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-2986
  • 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 V006-2986 available by request