V028-3474 Screening compound: 1-(4-{[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)-2-(benzyloxy)ethan-1-one

V028-3474 Screening compound: 1-(4-{[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)-2-(benzyloxy)ethan-1-one
V028-3474 Screening compound: 1-(4-{[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)-2-(benzyloxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-3474
1-(4-{[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)-2-(benzyloxy)ethan-1-one

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

V028-3474

Molecular Formula

C35H32N4O2S (C35 H32 N4 O2 S)

Compound Name

1-(4-{[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)-2-(benzyloxy)ethan-1-one

IUPAC name

1-(4-{[6-(1-benzothiophen-2-yl)-2-phenylimidazo[12-a]pyridin-3-yl]methyl}piperazin-1-yl)-2-(benzyloxy)ethan-1-one

SMILES

O=C(COCc1ccccc1)N1CCN(Cc2c(-c3ccccc3)nc(cc3)n2cc3-c2cc(cccc3)c3s2)CC1

InChI

InChI=1S/C35H32N4O2S/c40-34(25-41-24-26-9-3-1-4-10-26)38-19-17-37(18-20-38)23-30-35(27-11-5-2-6-12-27)36-33-16-15-29(22-39(30)33)32-21-28-13-7-8-14-31(28)42-32/h1-16,21-22H,17-20,23-25H2

InChI Key

NUPAHYHRTBVQCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20495447

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

572.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.045

Distribution Coefficient, logD

6.043

Water Solubility, LogSw

-6.81

Polar Surface Area

37.069

Acid Dissociation Constant (pKa)

20.42

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V028-3474 in Drug Discovery

Included in Screening Libraries

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 V028-3474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-3474?
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What is the minimum amount of V028-3474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-3474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-3474
  • 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 V028-3474 available by request