V029-5759 Screening compound: 2-{[4-({2,6-diphenylimidazo[1,2-a]pyridin-3-yl}methyl)piperazin-1-yl]sulfonyl}benzonitrile

V029-5759 Screening compound: 2-{[4-({2,6-diphenylimidazo[1,2-a]pyridin-3-yl}methyl)piperazin-1-yl]sulfonyl}benzonitrile
V029-5759 Screening compound: 2-{[4-({2,6-diphenylimidazo[1,2-a]pyridin-3-yl}methyl)piperazin-1-yl]sulfonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5759
2-{[4-({2,6-diphenylimidazo[1,2-a]pyridin-3-yl}methyl)piperazin-1-yl]sulfonyl}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

V029-5759

Molecular Formula

C31H27N5O2S (C31 H27 N5 O2 S)

Compound Name

2-{[4-({2,6-diphenylimidazo[1,2-a]pyridin-3-yl}methyl)piperazin-1-yl]sulfonyl}benzonitrile

IUPAC name

2-{[4-({26-diphenylimidazo[12-a]pyridin-3-yl}methyl)piperazin-1-yl]sulfonyl}benzonitrile

SMILES

N#Cc(cccc1)c1S(N1CCN(Cc2c(-c3ccccc3)nc(cc3)n2cc3-c2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C31H27N5O2S/c32-21-26-13-7-8-14-29(26)39(37,38)35-19-17-34(18-20-35)23-28-31(25-11-5-2-6-12-25)33-30-16-15-27(22-36(28)30)24-9-3-1-4-10-24/h1-16,22H,17-20,23H2

InChI Key

MDEQYCPCVVMQIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20495967

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

5.007

Water Solubility, LogSw

-4.76

Polar Surface Area

60.534

Acid Dissociation Constant (pKa)

26.99

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.13

V029-5759 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V029-5759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5759?
Check Price and Availability of V029-5759, 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 V029-5759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5759
  • 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 V029-5759 available by request