V029-5458 Screening compound: 1-{[6-(1-benzothiophen-2-yl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-(4-fluorobenzoyl)piperazine

V029-5458 Screening compound: 1-{[6-(1-benzothiophen-2-yl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-(4-fluorobenzoyl)piperazine
V029-5458 Screening compound: 1-{[6-(1-benzothiophen-2-yl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-(4-fluorobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5458
1-{[6-(1-benzothiophen-2-yl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-(4-fluorobenzoyl)piperazine

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

V029-5458

Molecular Formula

C33H26ClFN4OS (C33 H26 ClFN4 OS)

Compound Name

1-{[6-(1-benzothiophen-2-yl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-(4-fluorobenzoyl)piperazine

IUPAC name

1-{[6-(1-benzothiophen-2-yl)-2-(4-chlorophenyl)imidazo[12-a]pyridin-3-yl]methyl}-4-(4-fluorobenzoyl)piperazine

SMILES

O=C(c(cc1)ccc1F)N1CCN(Cc2c(-c(cc3)ccc3Cl)nc(cc3)n2cc3-c2cc(cccc3)c3s2)CC1

InChI

InChI=1S/C33H26ClFN4OS/c34-26-10-5-22(6-11-26)32-28(21-37-15-17-38(18-16-37)33(40)23-7-12-27(35)13-8-23)39-20-25(9-14-31(39)36-32)30-19-24-3-1-2-4-29(24)41-30/h1-14,19-20H,15-18,21H2

InChI Key

ZHNSUBHWVBGSIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20495140

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

581.11

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.945

Distribution Coefficient, logD

6.943

Water Solubility, LogSw

-6.82

Polar Surface Area

29.162

Acid Dissociation Constant (pKa)

26.99

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

V029-5458 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V029-5458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5458?
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What is the minimum amount of V029-5458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5458
  • 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 V029-5458 available by request