E643-0939 Screening compound: 1-(2-ETHYLPIPERIDIN-1-YL)-2-(2-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)ETHAN-1-ONE

E643-0939 Screening compound: 1-(2-ETHYLPIPERIDIN-1-YL)-2-(2-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)ETHAN-1-ONE
E643-0939 Screening compound: 1-(2-ETHYLPIPERIDIN-1-YL)-2-(2-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0939
1-(2-ETHYLPIPERIDIN-1-YL)-2-(2-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)ETHAN-1-ONE

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

E643-0939

Molecular Formula

C22H25FN4OS (C22 H25 FN4 OS)

Compound Name

1-(2-ETHYLPIPERIDIN-1-YL)-2-(2-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)ETHAN-1-ONE

IUPAC name

n/a

SMILES

CCC(CCCC1)N1C(Cn1c(SCc(cccc2)c2F)nc2c1nccc2)=O

InChI

InChI=1S/C22H25FN4OS/c1-2-17-9-5-6-13-26(17)20(28)14-27-21-19(11-7-12-24-21)25-22(27)29-15-16-8-3-4-10-18(16)23/h3-4,7-8,10-12,17H,2,5-6,9,13-15H2,1H3/t17-/m0/s1

InChI Key

WCAMLVOBYFMDGI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14907127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.376

Water Solubility, LogSw

-4.11

Polar Surface Area

36.423

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

E643-0939 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 E643-0939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0939?
Check Price and Availability of E643-0939, 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 E643-0939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0939
  • 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 E643-0939 available by request