V011-9696 Screening compound: 1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-chloro-3-nitrobenzoyl)piperazine

V011-9696 Screening compound: 1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-chloro-3-nitrobenzoyl)piperazine
V011-9696 Screening compound: 1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-chloro-3-nitrobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-9696
1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-chloro-3-nitrobenzoyl)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

V011-9696

Molecular Formula

C27H28ClN7O3 (C27 H28 ClN7 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCc1nc(n(-c2ccccc2)nc2C)c2c(N(CC2)CCN2C(c(cc2)cc([N+]([O-])=O)c2Cl)=O)n1

InChI

InChI=1S/C27H28ClN7O3/c1-3-4-10-23-29-25(24-18(2)31-34(26(24)30-23)20-8-6-5-7-9-20)32-13-15-33(16-14-32)27(36)19-11-12-21(28)22(17-19)35(37)38/h5-9,11-12,17H,3-4,10,13-16H2,1-2H3

InChI Key

VITQIEHYDLNLED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857160

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

534.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.065

Distribution Coefficient, logD

4.520

Water Solubility, LogSw

-5.50

Polar Surface Area

87.502

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V011-9696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-9696?
Check Price and Availability of V011-9696, 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 V011-9696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-9696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-9696
  • 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 V011-9696 available by request