E642-0535 Screening compound: N-(3-methoxypropyl)-4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide

E642-0535 Screening compound: N-(3-methoxypropyl)-4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide
E642-0535 Screening compound: N-(3-methoxypropyl)-4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0535
N-(3-methoxypropyl)-4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]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

E642-0535

Molecular Formula

C26H28N4O2S (C26 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(Cn2c(SCc(cc3)ccc3C(NCCCOC)=O)nc3c2nccc3)c1

InChI

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

InChI Key

XBXBUEONLXKMQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906688

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

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.30

Polar Surface Area

53.253

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E642-0535 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 E642-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0535?
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What is the minimum amount of E642-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0535
  • 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 E642-0535 available by request