E643-1228 Screening compound: N-(2,6-dimethylphenyl)-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]butanamide

E643-1228 Screening compound: N-(2,6-dimethylphenyl)-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]butanamide
E643-1228 Screening compound: N-(2,6-dimethylphenyl)-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 E643-1228
N-(2,6-dimethylphenyl)-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

E643-1228

Molecular Formula

C26H25F3N4OS (C26 H25 F3 N4 OS)

Compound Name

N-(2,6-dimethylphenyl)-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]butanamide

IUPAC name

N-(26-dimethylphenyl)-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[45-b]pyridin-3-yl]butanamide

SMILES

CCC(C(Nc1c(C)cccc1C)=O)n1c(SCc2cc(C(F)(F)F)ccc2)nc2c1nccc2

InChI

InChI=1S/C26H25F3N4OS/c1-4-21(24(34)32-22-16(2)8-5-9-17(22)3)33-23-20(12-7-13-30-23)31-25(33)35-15-18-10-6-11-19(14-18)26(27,28)29/h5-14,21H,4,15H2,1-3H3,(H,32,34)/t21-/m0/s1

InChI Key

XYCYNHLIJGAGCZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14907230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.57

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

5.978

Distribution Coefficient, logD

5.978

Water Solubility, LogSw

-5.51

Polar Surface Area

42.631

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

E643-1228 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E643-1228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-1228?
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What is the minimum amount of E643-1228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-1228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-1228
  • 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 E643-1228 available by request