E643-1056 Screening compound: N-(2-ethoxyphenyl)-2-(2-{[(2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)butanamide

E643-1056 Screening compound: N-(2-ethoxyphenyl)-2-(2-{[(2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)butanamide
E643-1056 Screening compound: N-(2-ethoxyphenyl)-2-(2-{[(2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-1056
N-(2-ethoxyphenyl)-2-(2-{[(2-fluorophenyl)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

E643-1056

Molecular Formula

C25H25FN4O2S (C25 H25 FN4 O2 S)

Compound Name

N-(2-ethoxyphenyl)-2-(2-{[(2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)butanamide

IUPAC name

N-(2-ethoxyphenyl)-2-(2-{[(2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-b]pyridin-3-yl)butanamide

SMILES

CCC(C(Nc(cccc1)c1OCC)=O)n1c(SCc(cccc2)c2F)nc2c1nccc2

InChI

InChI=1S/C25H25FN4O2S/c1-3-21(24(31)28-19-12-7-8-14-22(19)32-4-2)30-23-20(13-9-15-27-23)29-25(30)33-16-17-10-5-6-11-18(17)26/h5-15,21H,3-4,16H2,1-2H3,(H,28,31)/t21-/m0/s1

InChI Key

WZCNAVFIUYZTHA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14907168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.606

Distribution Coefficient, logD

5.605

Water Solubility, LogSw

-5.38

Polar Surface Area

50.539

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

E643-1056 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E643-1056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-1056?
Check Price and Availability of E643-1056, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E643-1056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-1056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-1056
  • 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 E643-1056 available by request