E643-0215 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridine

E643-0215 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridine
E643-0215 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0215
2-{[(4-fluorophenyl)methyl]sulfanyl}-3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridine

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

E643-0215

Molecular Formula

C21H18FN3OS (C21 H18 FN3 OS)

Compound Name

2-{[(4-fluorophenyl)methyl]sulfanyl}-3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridine

IUPAC name

2-{[(4-fluorophenyl)methyl]sulfanyl}-3-[(3-methoxyphenyl)methyl]-3H-imidazo[45-b]pyridine

SMILES

COc1cccc(Cn2c(SCc(cc3)ccc3F)nc3c2nccc3)c1

InChI

InChI=1S/C21H18FN3OS/c1-26-18-5-2-4-16(12-18)13-25-20-19(6-3-11-23-20)24-21(25)27-14-15-7-9-17(22)10-8-15/h2-12H,13-14H2,1H3

InChI Key

DOJISAOMHUTLKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.55

Polar Surface Area

27.928

Acid Dissociation Constant (pKa)

19.27

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E643-0215 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E643-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0215?
Check Price and Availability of E643-0215, 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 E643-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0215
  • 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 E643-0215 available by request