E642-0087 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(3-ethoxypropyl)benzamide

E642-0087 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(3-ethoxypropyl)benzamide
E642-0087 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(3-ethoxypropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0087
4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(3-ethoxypropyl)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

E642-0087

Molecular Formula

C26H28N4O2S (C26 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(c1ccc(CSc(n2Cc3ccccc3)nc3c2nccc3)cc1)=O

InChI

InChI=1S/C26H28N4O2S/c1-2-32-17-7-16-28-25(31)22-13-11-21(12-14-22)19-33-26-29-23-10-6-15-27-24(23)30(26)18-20-8-4-3-5-9-20/h3-6,8-15H,2,7,16-19H2,1H3,(H,28,31)

InChI Key

JAGYIGUQABNPDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.020

Water Solubility, LogSw

-4.00

Polar Surface Area

52.888

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E642-0087 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E642-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0087?
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What is the minimum amount of E642-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0087
  • 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 E642-0087 available by request