E643-0812 Screening compound: 2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

E643-0812 Screening compound: 2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
E643-0812 Screening compound: 2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0812
2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)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

E643-0812

Molecular Formula

C24H21FN4OS (C24 H21 FN4 OS)

Compound Name

2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-b]pyridin-3-yl)-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

O=C(Cn1c(SCc2cc(F)ccc2)nc2c1nccc2)N(CCC1)c2c1cccc2

InChI

InChI=1S/C24H21FN4OS/c25-19-9-3-6-17(14-19)16-31-24-27-20-10-4-12-26-23(20)29(24)15-22(30)28-13-5-8-18-7-1-2-11-21(18)28/h1-4,6-7,9-12,14H,5,8,13,15-16H2

InChI Key

HZFHCNXOODINPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.589

Distribution Coefficient, logD

4.588

Water Solubility, LogSw

-4.46

Polar Surface Area

35.441

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

E643-0812 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E643-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0812?
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What is the minimum amount of E643-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0812
  • 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 E643-0812 available by request