V006-9101 Screening compound: 1-[1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methylbenzoyl)piperazine

V006-9101 Screening compound: 1-[1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methylbenzoyl)piperazine
V006-9101 Screening compound: 1-[1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methylbenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9101
1-[1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methylbenzoyl)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

V006-9101

Molecular Formula

C32H31FN6O (C32 H31 FN6 O)

Compound Name

1-[1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methylbenzoyl)piperazine

IUPAC name

1-[1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-(4-methylbenzoyl)piperazine

SMILES

Cc(c1c(N(CC2)CCN2C(c2ccc(C)cc2)=O)nc(Cc2ccc(C)cc2)nc11)nn1-c(cc1)ccc1F

InChI

InChI=1S/C32H31FN6O/c1-21-4-8-24(9-5-21)20-28-34-30(29-23(3)36-39(31(29)35-28)27-14-12-26(33)13-15-27)37-16-18-38(19-17-37)32(40)25-10-6-22(2)7-11-25/h4-15H,16-20H2,1-3H3

InChI Key

SHQBYDAUUAEFPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862635

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

534.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.034

Distribution Coefficient, logD

5.932

Water Solubility, LogSw

-5.85

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

25.00

V006-9101 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V006-9101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9101?
Check Price and Availability of V006-9101, 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 V006-9101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9101
  • 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 V006-9101 available by request