V001-9989 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-phenylmethanesulfonylpiperazine

V001-9989 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-phenylmethanesulfonylpiperazine
V001-9989 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-phenylmethanesulfonylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-9989
1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-phenylmethanesulfonylpiperazine

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

V001-9989

Molecular Formula

C30H30N6O2S (C30 H30 N6 O2 S)

Compound Name

1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-phenylmethanesulfonylpiperazine

IUPAC name

1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-4-phenylmethanesulfonylpiperazine

SMILES

Cc(c1c2nc(Cc3ccccc3)nc1N(CC1)CCN1S(Cc1ccccc1)(=O)=O)nn2-c1ccccc1

InChI

InChI=1S/C30H30N6O2S/c1-23-28-29(34-17-19-35(20-18-34)39(37,38)22-25-13-7-3-8-14-25)31-27(21-24-11-5-2-6-12-24)32-30(28)36(33-23)26-15-9-4-10-16-26/h2-16H,17-22H2,1H3

InChI Key

ZVWOVPFAJUIZLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854106

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.67

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

4.908

Distribution Coefficient, logD

4.806

Water Solubility, LogSw

-4.88

Polar Surface Area

69.107

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V001-9989 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V001-9989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-9989?
Check Price and Availability of V001-9989, 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 V001-9989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-9989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-9989
  • 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 V001-9989 available by request