V003-6745 Screening compound: 1-(4-chloro-3-nitrobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine

V003-6745 Screening compound: 1-(4-chloro-3-nitrobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine
V003-6745 Screening compound: 1-(4-chloro-3-nitrobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6745
1-(4-chloro-3-nitrobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}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

V003-6745

Molecular Formula

C31H28ClN7O3 (C31 H28 ClN7 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2nc(Cc3ccc(C)cc3)nc1N(CC1)CCN1C(c(cc1)cc([N+]([O-])=O)c1Cl)=O)nn2-c1ccccc1

InChI

InChI=1S/C31H28ClN7O3/c1-20-8-10-22(11-9-20)18-27-33-29(28-21(2)35-38(30(28)34-27)24-6-4-3-5-7-24)36-14-16-37(17-15-36)31(40)23-12-13-25(32)26(19-23)39(41)42/h3-13,19H,14-18H2,1-2H3

InChI Key

DRPLJVZEYSPKHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857264

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

582.06

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.591

Distribution Coefficient, logD

5.489

Water Solubility, LogSw

-5.99

Polar Surface Area

87.231

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

V003-6745 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-6745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6745?
Check Price and Availability of V003-6745, 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 V003-6745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6745
  • 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 V003-6745 available by request