V004-7753 Screening compound: 4-[4-(4-{3-[4-(piperidin-1-yl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperazin-1-yl]butanenitrile

V004-7753 Screening compound: 4-[4-(4-{3-[4-(piperidin-1-yl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperazin-1-yl]butanenitrile
V004-7753 Screening compound: 4-[4-(4-{3-[4-(piperidin-1-yl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperazin-1-yl]butanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7753
4-[4-(4-{3-[4-(piperidin-1-yl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperazin-1-yl]butanenitrile

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

V004-7753

Molecular Formula

C29H34N6O (C29 H34 N6 O)

Compound Name

4-[4-(4-{3-[4-(piperidin-1-yl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperazin-1-yl]butanenitrile

IUPAC name

4-[4-(4-{3-[4-(piperidin-1-yl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperazin-1-yl]butanenitrile

SMILES

N#CCCCN(CC1)CCN1C(c(cc1)ccc1-c1cc(-c(cc2)ccc2N2CCCCC2)n[nH]1)=O

InChI

InChI=1S/C29H34N6O/c30-14-2-5-15-33-18-20-35(21-19-33)29(36)25-8-6-23(7-9-25)27-22-28(32-31-27)24-10-12-26(13-11-24)34-16-3-1-4-17-34/h6-13,22H,1-5,15-21H2,(H,31,32)

InChI Key

QKPIEPIHEYWXPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14285995

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.344

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-3.59

Polar Surface Area

63.840

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

V004-7753 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V004-7753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7753?
Check Price and Availability of V004-7753, 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 V004-7753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7753
  • 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 V004-7753 available by request