E642-0876 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(2-methoxyphenyl)methyl]benzamide

E642-0876 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(2-methoxyphenyl)methyl]benzamide
E642-0876 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(2-methoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0876
4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(2-methoxyphenyl)methyl]benzamide

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

E642-0876

Molecular Formula

C29H26N4O2S (C29 H26 N4 O2 S)

Compound Name

4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(2-methoxyphenyl)methyl]benzamide

IUPAC name

4-{[2-(benzylsulfanyl)-3H-imidazo[45-b]pyridin-3-yl]methyl}-N-[(2-methoxyphenyl)methyl]benzamide

SMILES

COc1c(CNC(c2ccc(Cn3c(SCc4ccccc4)nc4c3nccc4)cc2)=O)cccc1

InChI

InChI=1S/C29H26N4O2S/c1-35-26-12-6-5-10-24(26)18-31-28(34)23-15-13-21(14-16-23)19-33-27-25(11-7-17-30-27)32-29(33)36-20-22-8-3-2-4-9-22/h2-17H,18-20H2,1H3,(H,31,34)

InChI Key

PNMYTEKWBRWSFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.247

Distribution Coefficient, logD

5.246

Water Solubility, LogSw

-5.11

Polar Surface Area

52.428

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

E642-0876 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with E642-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0876?
Check Price and Availability of E642-0876, 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 E642-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0876
  • 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 E642-0876 available by request