V018-2931 Screening compound: 3-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)propanenitrile

V018-2931 Screening compound: 3-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)propanenitrile
V018-2931 Screening compound: 3-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-2931
3-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)propanenitrile

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

V018-2931

Molecular Formula

C23H22ClN5O (C23 H22 ClN5 O)

Compound Name

3-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)propanenitrile

IUPAC name

3-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)propanenitrile

SMILES

N#CCCN(CC1)CCN1C(c(cc1)ccc1-c1cc(-c(cc2)ccc2Cl)n[nH]1)=O

InChI

InChI=1S/C23H22ClN5O/c24-20-8-6-18(7-9-20)22-16-21(26-27-22)17-2-4-19(5-3-17)23(30)29-14-12-28(13-15-29)11-1-10-25/h2-9,16H,1,11-15H2,(H,26,27)

InChI Key

GRVUBVDSIWKVAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14285991

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

419.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.410

Distribution Coefficient, logD

3.410

Water Solubility, LogSw

-3.98

Polar Surface Area

60.387

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with V018-2931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-2931?
Check Price and Availability of V018-2931, 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 V018-2931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-2931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-2931
  • 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 V018-2931 available by request