V003-8504 Screening compound: 4-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-carbonyl}benzonitrile

V003-8504 Screening compound: 4-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-carbonyl}benzonitrile
V003-8504 Screening compound: 4-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8504
4-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-carbonyl}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

V003-8504

Molecular Formula

C25H22BrN3O (C25 H22 BrN3 O)

Compound Name

4-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-carbonyl}benzonitrile

IUPAC name

4-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-carbonyl}benzonitrile

SMILES

N#Cc(cc1)ccc1C(N(CC1)CCN1C(c1ccccc1)c(cc1)ccc1Br)=O

InChI

InChI=1S/C25H22BrN3O/c26-23-12-10-21(11-13-23)24(20-4-2-1-3-5-20)28-14-16-29(17-15-28)25(30)22-8-6-19(18-27)7-9-22/h1-13,24H,14-17H2/t24-/m0/s1

InChI Key

YJNKABCUEFHNSB-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19962972

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.846

Distribution Coefficient, logD

4.846

Water Solubility, LogSw

-4.92

Polar Surface Area

36.504

Acid Dissociation Constant (pKa)

24.59

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

V003-8504 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V003-8504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8504?
Check Price and Availability of V003-8504, 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 V003-8504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8504
  • 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 V003-8504 available by request