E642-3143 Screening compound: N-butyl-4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-methylbenzamide

E642-3143 Screening compound: N-butyl-4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-methylbenzamide
E642-3143 Screening compound: N-butyl-4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-3143
N-butyl-4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-methylbenzamide

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

E642-3143

Molecular Formula

C26H26ClFN4OS (C26 H26 ClFN4 OS)

Compound Name

N-butyl-4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-methylbenzamide

IUPAC name

N-butyl-4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}sulfanyl)methyl]-N-methylbenzamide

SMILES

CCCCN(C)C(c1ccc(CSc2nc3cccnc3n2Cc(c(F)ccc2)c2Cl)cc1)=O

InChI

InChI=1S/C26H26ClFN4OS/c1-3-4-15-31(2)25(33)19-12-10-18(11-13-19)17-34-26-30-23-9-6-14-29-24(23)32(26)16-20-21(27)7-5-8-22(20)28/h5-14H,3-4,15-17H2,1-2H3

InChI Key

RHWODTCQUNZKPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.196

Distribution Coefficient, logD

5.196

Water Solubility, LogSw

-5.63

Polar Surface Area

36.784

Acid Dissociation Constant (pKa)

19.27

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E642-3143 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E642-3143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-3143?
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What is the minimum amount of E642-3143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-3143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-3143
  • 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 E642-3143 available by request