V026-8417 Screening compound: 2-[(4-{[6-(4-acetylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)sulfonyl]benzonitrile

V026-8417 Screening compound: 2-[(4-{[6-(4-acetylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)sulfonyl]benzonitrile
V026-8417 Screening compound: 2-[(4-{[6-(4-acetylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)sulfonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-8417
2-[(4-{[6-(4-acetylphenyl)-2-phenylimidazo[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

V026-8417

Molecular Formula

C33H29N5O3S (C33 H29 N5 O3 S)

Compound Name

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

IUPAC name

2-[(4-{[6-(4-acetylphenyl)-2-phenylimidazo[12-a]pyridin-3-yl]methyl}piperazin-1-yl)sulfonyl]benzonitrile

SMILES

CC(c(cc1)ccc1-c(cc1)cn2c1nc(-c1ccccc1)c2CN(CC1)CCN1S(c(cccc1)c1C#N)(=O)=O)=O

InChI

InChI=1S/C33H29N5O3S/c1-24(39)25-11-13-26(14-12-25)29-15-16-32-35-33(27-7-3-2-4-8-27)30(38(32)22-29)23-36-17-19-37(20-18-36)42(40,41)31-10-6-5-9-28(31)21-34/h2-16,22H,17-20,23H2,1H3

InChI Key

XQLVPFJBVJPAER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20495969

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

575.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.660

Distribution Coefficient, logD

4.654

Water Solubility, LogSw

-4.32

Polar Surface Area

74.361

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

V026-8417 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V026-8417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-8417?
Check Price and Availability of V026-8417, 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 V026-8417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-8417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-8417
  • 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 V026-8417 available by request