V028-3451 Screening compound: 1-(4-{[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)-2-(4-chlorophenoxy)ethan-1-one

V028-3451 Screening compound: 1-(4-{[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)-2-(4-chlorophenoxy)ethan-1-one
V028-3451 Screening compound: 1-(4-{[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)-2-(4-chlorophenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-3451
1-(4-{[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)-2-(4-chlorophenoxy)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

V028-3451

Molecular Formula

C34H29ClN4O2S (C34 H29 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc(cc1)ccc1Cl)N1CCN(Cc2c(-c3ccccc3)nc(cc3)n2cc3-c2cc(cccc3)c3s2)CC1

InChI

InChI=1S/C34H29ClN4O2S/c35-27-11-13-28(14-12-27)41-23-33(40)38-18-16-37(17-19-38)22-29-34(24-6-2-1-3-7-24)36-32-15-10-26(21-39(29)32)31-20-25-8-4-5-9-30(25)42-31/h1-15,20-21H,16-19,22-23H2

InChI Key

LJHSFDRZCSNXTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20495633

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

593.15

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.592

Distribution Coefficient, logD

6.590

Water Solubility, LogSw

-6.70

Polar Surface Area

36.134

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

V028-3451 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V028-3451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-3451?
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What is the minimum amount of V028-3451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-3451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-3451
  • 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 V028-3451 available by request