E642-1445 Screening compound: 4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(thiophen-2-yl)ethyl]benzamide

E642-1445 Screening compound: 4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(thiophen-2-yl)ethyl]benzamide
E642-1445 Screening compound: 4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(thiophen-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-1445
4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(thiophen-2-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

E642-1445

Molecular Formula

C28H26N4OS2 (C28 H26 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSc2nc3cccnc3n2Cc(cc2)ccc2C(NCCc2cccs2)=O)cccc1

InChI

InChI=1S/C28H26N4OS2/c1-20-6-2-3-7-23(20)19-35-28-31-25-9-4-15-29-26(25)32(28)18-21-10-12-22(13-11-21)27(33)30-16-14-24-8-5-17-34-24/h2-13,15,17H,14,16,18-19H2,1H3,(H,30,33)

InChI Key

CVLBZUVURYTFQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.995

Distribution Coefficient, logD

5.995

Water Solubility, LogSw

-5.46

Polar Surface Area

45.657

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

E642-1445 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E642-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-1445?
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What is the minimum amount of E642-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-1445
  • 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 E642-1445 available by request