V006-2729 Screening compound: 2-({4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}sulfonyl)-4-methylbenzonitrile

V006-2729 Screening compound: 2-({4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}sulfonyl)-4-methylbenzonitrile
V006-2729 Screening compound: 2-({4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}sulfonyl)-4-methylbenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-2729
2-({4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}sulfonyl)-4-methylbenzonitrile

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

V006-2729

Molecular Formula

C25H24ClN3O2S (C25 H24 ClN3 O2 S)

Compound Name

2-({4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}sulfonyl)-4-methylbenzonitrile

IUPAC name

2-({4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}sulfonyl)-4-methylbenzonitrile

SMILES

Cc(cc1)cc(S(N(CC2)CCN2C(c2ccccc2)c(cc2)ccc2Cl)(=O)=O)c1C#N

InChI

InChI=1S/C25H24ClN3O2S/c1-19-7-8-22(18-27)24(17-19)32(30,31)29-15-13-28(14-16-29)25(20-5-3-2-4-6-20)21-9-11-23(26)12-10-21/h2-12,17,25H,13-16H2,1H3/t25-/m0/s1

InChI Key

FLLOSFHUXAEETR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19963490

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.288

Distribution Coefficient, logD

5.288

Water Solubility, LogSw

-6.05

Polar Surface Area

51.567

Acid Dissociation Constant (pKa)

24.59

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with V006-2729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-2729?
Check Price and Availability of V006-2729, 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 V006-2729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-2729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-2729
  • 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 V006-2729 available by request