V027-4749 Screening compound: 1-{[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-(3-fluorobenzoyl)piperazine

V027-4749 Screening compound: 1-{[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-(3-fluorobenzoyl)piperazine
V027-4749 Screening compound: 1-{[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-(3-fluorobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4749
1-{[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-(3-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

V027-4749

Molecular Formula

C34H29FN4O2S (C34 H29 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1c(CN(CC2)CCN2C(c2cc(F)ccc2)=O)n(cc(cc2)-c3cc(cccc4)c4s3)c2n1

InChI

InChI=1S/C34H29FN4O2S/c1-41-28-12-9-23(10-13-28)33-29(22-37-15-17-38(18-16-37)34(40)25-6-4-7-27(35)19-25)39-21-26(11-14-32(39)36-33)31-20-24-5-2-3-8-30(24)42-31/h2-14,19-21H,15-18,22H2,1H3

InChI Key

STTCSQLORRKERJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20495676

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

576.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.342

Distribution Coefficient, logD

6.341

Water Solubility, LogSw

-6.35

Polar Surface Area

36.706

Acid Dissociation Constant (pKa)

26.99

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

V027-4749 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 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

References: we are preparing a list of scientific research reports with V027-4749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4749?
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What is the minimum amount of V027-4749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4749
  • 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 V027-4749 available by request