V002-0061 Screening compound: 4-({2-[4-(3-cyanobenzoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile

V002-0061 Screening compound: 4-({2-[4-(3-cyanobenzoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
V002-0061 Screening compound: 4-({2-[4-(3-cyanobenzoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-0061
4-({2-[4-(3-cyanobenzoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile

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

V002-0061

Molecular Formula

C32H33N5O2 (C32 H33 N5 O2)

Compound Name

4-({2-[4-(3-cyanobenzoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile

IUPAC name

4-({2-[4-(3-cyanobenzoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile

SMILES

N#Cc1ccc(COC(CN(CC2)CCN2C(c2cc(C#N)ccc2)=O)c2cc(N3CCCC3)ccc2)cc1

InChI

InChI=1S/C32H33N5O2/c33-21-25-9-11-26(12-10-25)24-39-31(28-6-4-8-30(20-28)36-13-1-2-14-36)23-35-15-17-37(18-16-35)32(38)29-7-3-5-27(19-29)22-34/h3-12,19-20,31H,1-2,13-18,23-24H2/t31-/m0/s1

InChI Key

FDWFTQAJZUJUMR-HKBQPEDESA-N

MDL Number (MFCD)

MFCD19952617

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.735

Water Solubility, LogSw

-4.13

Polar Surface Area

65.239

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

References: we are preparing a list of scientific research reports with V002-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0061?
Check Price and Availability of V002-0061, 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 V002-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0061
  • 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 V002-0061 available by request