E642-0096 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-cyclohexylbenzamide

E642-0096 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-cyclohexylbenzamide
E642-0096 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-cyclohexylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0096
4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-cyclohexylbenzamide

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

E642-0096

Molecular Formula

C27H28N4OS (C27 H28 N4 OS)

Compound Name

4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-cyclohexylbenzamide

IUPAC name

4-[({3-benzyl-3H-imidazo[45-b]pyridin-2-yl}sulfanyl)methyl]-N-cyclohexylbenzamide

SMILES

O=C(c1ccc(CSc(n2Cc3ccccc3)nc3c2nccc3)cc1)NC1CCCCC1

InChI

InChI=1S/C27H28N4OS/c32-26(29-23-10-5-2-6-11-23)22-15-13-21(14-16-22)19-33-27-30-24-12-7-17-28-25(24)31(27)18-20-8-3-1-4-9-20/h1,3-4,7-9,12-17,23H,2,5-6,10-11,18-19H2,(H,29,32)

InChI Key

XUFBSJXTZNYYCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.358

Distribution Coefficient, logD

5.357

Water Solubility, LogSw

-5.56

Polar Surface Area

44.523

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

E642-0096 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GABA Library (7115 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E642-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0096?
Check Price and Availability of E642-0096, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E642-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0096
  • 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 E642-0096 available by request