E643-1166 Screening compound: ethyl 2-{2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]acetamido}benzoate

E643-1166 Screening compound: ethyl 2-{2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]acetamido}benzoate
E643-1166 Screening compound: ethyl 2-{2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-1166
ethyl 2-{2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]acetamido}benzoate

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

E643-1166

Molecular Formula

C25H21F3N4O3S (C25 H21 F3 N4 O3 S)

Compound Name

ethyl 2-{2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[45-b]pyridin-3-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(Cn1c(SCc2cc(C(F)(F)F)ccc2)nc2c1nccc2)=O)=O

InChI

InChI=1S/C25H21F3N4O3S/c1-2-35-23(34)18-9-3-4-10-19(18)30-21(33)14-32-22-20(11-6-12-29-22)31-24(32)36-15-16-7-5-8-17(13-16)25(26,27)28/h3-13H,2,14-15H2,1H3,(H,30,33)

InChI Key

KMULZTLSDPIJNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.418

Distribution Coefficient, logD

5.388

Water Solubility, LogSw

-5.37

Polar Surface Area

63.589

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E643-1166 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 E643-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-1166?
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What is the minimum amount of E643-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-1166
  • 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 E643-1166 available by request