E642-0029 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-cycloheptylbenzamide

E642-0029 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-cycloheptylbenzamide
E642-0029 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-cycloheptylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0029
4-[({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-cycloheptylbenzamide

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

E642-0029

Molecular Formula

C28H30N4OS (C28 H30 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc(n2Cc3ccccc3)nc3c2nccc3)cc1)NC1CCCCCC1

InChI

InChI=1S/C28H30N4OS/c33-27(30-24-11-6-1-2-7-12-24)23-16-14-22(15-17-23)20-34-28-31-25-13-8-18-29-26(25)32(28)19-21-9-4-3-5-10-21/h3-5,8-10,13-18,24H,1-2,6-7,11-12,19-20H2,(H,30,33)

InChI Key

XSUOFVLOHXPEMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

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

5.854

Distribution Coefficient, logD

5.853

Water Solubility, LogSw

-5.82

Polar Surface Area

44.854

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

E642-0029 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 E642-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0029?
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What is the minimum amount of E642-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0029
  • 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 E642-0029 available by request