E643-1216 Screening compound: N-(3-chloro-4-methylphenyl)-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]butanamide

E643-1216 Screening compound: N-(3-chloro-4-methylphenyl)-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]butanamide
E643-1216 Screening compound: N-(3-chloro-4-methylphenyl)-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-1216
N-(3-chloro-4-methylphenyl)-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]butanamide

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

E643-1216

Molecular Formula

C25H22ClF3N4OS (C25 H22 ClF3 N4 OS)

Compound Name

N-(3-chloro-4-methylphenyl)-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]butanamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[45-b]pyridin-3-yl]butanamide

SMILES

CCC(C(Nc1cc(Cl)c(C)cc1)=O)n1c(SCc2cc(C(F)(F)F)ccc2)nc2cccnc12

InChI

InChI=1S/C25H22ClF3N4OS/c1-3-21(23(34)31-18-10-9-15(2)19(26)13-18)33-22-20(8-5-11-30-22)32-24(33)35-14-16-6-4-7-17(12-16)25(27,28)29/h4-13,21H,3,14H2,1-2H3,(H,31,34)/t21-/m0/s1

InChI Key

OJEHTGFUUYSAPJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14907226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.993

Distribution Coefficient, logD

6.992

Water Solubility, LogSw

-6.48

Polar Surface Area

44.027

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

E643-1216 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 E643-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-1216?
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What is the minimum amount of E643-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-1216
  • 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 E643-1216 available by request