E642-0137 Screening compound: 1-{4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzoyl}piperidine

E642-0137 Screening compound: 1-{4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzoyl}piperidine
E642-0137 Screening compound: 1-{4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzoyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0137
1-{4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzoyl}piperidine

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

E642-0137

Molecular Formula

C26H26N4OS (C26 H26 N4 OS)

Compound Name

1-{4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzoyl}piperidine

IUPAC name

1-{4-[({3-benzyl-3H-imidazo[45-b]pyridin-2-yl}sulfanyl)methyl]benzoyl}piperidine

SMILES

O=C(c1ccc(CSc(n2Cc3ccccc3)nc3c2nccc3)cc1)N1CCCCC1

InChI

InChI=1S/C26H26N4OS/c31-25(29-16-5-2-6-17-29)22-13-11-21(12-14-22)19-32-26-28-23-10-7-15-27-24(23)30(26)18-20-8-3-1-4-9-20/h1,3-4,7-15H,2,5-6,16-19H2

InChI Key

WTUXOGMPUWWCSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906600

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.440

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.37

Polar Surface Area

37.032

Acid Dissociation Constant (pKa)

19.27

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E642-0137 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 E642-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0137?
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What is the minimum amount of E642-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0137
  • 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 E642-0137 available by request