E642-1323 Screening compound: N-(3-methylbutyl)-4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzamide

E642-1323 Screening compound: N-(3-methylbutyl)-4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzamide
E642-1323 Screening compound: N-(3-methylbutyl)-4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-1323
N-(3-methylbutyl)-4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)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

E642-1323

Molecular Formula

C27H30N4OS (C27 H30 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(c1ccc(Cn2c(SCc3cc(C)ccc3)nc3c2nccc3)cc1)=O

InChI

InChI=1S/C27H30N4OS/c1-19(2)13-15-29-26(32)23-11-9-21(10-12-23)17-31-25-24(8-5-14-28-25)30-27(31)33-18-22-7-4-6-20(3)16-22/h4-12,14,16,19H,13,15,17-18H2,1-3H3,(H,29,32)

InChI Key

RQNQYMLCZKJXJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.63

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

5.976

Distribution Coefficient, logD

5.975

Water Solubility, LogSw

-5.37

Polar Surface Area

44.910

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

E642-1323 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 E642-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-1323?
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What is the minimum amount of E642-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-1323
  • 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 E642-1323 available by request