E642-0094 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-[2-(morpholin-4-yl)ethyl]benzamide

E642-0094 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-[2-(morpholin-4-yl)ethyl]benzamide
E642-0094 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0094
4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-[2-(morpholin-4-yl)ethyl]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

E642-0094

Molecular Formula

C27H29N5O2S (C27 H29 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc(n2Cc3ccccc3)nc3c2nccc3)cc1)NCCN1CCOCC1

InChI

InChI=1S/C27H29N5O2S/c33-26(29-13-14-31-15-17-34-18-16-31)23-10-8-22(9-11-23)20-35-27-30-24-7-4-12-28-25(24)32(27)19-21-5-2-1-3-6-21/h1-12H,13-20H2,(H,29,33)

InChI Key

FCWUOEIWJMNTGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.098

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-3.29

Polar Surface Area

56.530

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

E642-0094 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

PI3K-Targeted Library (17255 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E642-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0094?
Check Price and Availability of E642-0094, 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 E642-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0094
  • 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 E642-0094 available by request