V008-2021 Screening compound: 1-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine

V008-2021 Screening compound: 1-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine
V008-2021 Screening compound: 1-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2021
1-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-[3-(trifluoromethyl)benzenesulfonyl]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

V008-2021

Molecular Formula

C27H29F3N6O2S (C27 H29 F3 N6 O2 S)

Compound Name

1-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine

IUPAC name

1-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine

SMILES

CC(C)Cc1nc(n(-c2ccccc2)nc2C)c2c(N(CC2)CCN2S(c2cc(C(F)(F)F)ccc2)(=O)=O)n1

InChI

InChI=1S/C27H29F3N6O2S/c1-18(2)16-23-31-25(24-19(3)33-36(26(24)32-23)21-9-5-4-6-10-21)34-12-14-35(15-13-34)39(37,38)22-11-7-8-20(17-22)27(28,29)30/h4-11,17-18H,12-16H2,1-3H3

InChI Key

KSSHXYABTOMFIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19856898

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

558.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.943

Distribution Coefficient, logD

5.424

Water Solubility, LogSw

-6.09

Polar Surface Area

69.484

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V008-2021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2021?
Check Price and Availability of V008-2021, 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 V008-2021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2021
  • 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 V008-2021 available by request