E642-0945 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(pyridin-3-yl)methyl]benzamide

E642-0945 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(pyridin-3-yl)methyl]benzamide
E642-0945 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0945
4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(pyridin-3-yl)methyl]benzamide

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

E642-0945

Molecular Formula

C27H22FN5OS (C27 H22 FN5 OS)

Compound Name

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

IUPAC name

4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-b]pyridin-3-yl)methyl]-N-[(pyridin-3-yl)methyl]benzamide

SMILES

O=C(c1ccc(Cn2c(SCc(cc3)ccc3F)nc3c2nccc3)cc1)NCc1cnccc1

InChI

InChI=1S/C27H22FN5OS/c28-23-11-7-20(8-12-23)18-35-27-32-24-4-2-14-30-25(24)33(27)17-19-5-9-22(10-6-19)26(34)31-16-21-3-1-13-29-15-21/h1-15H,16-18H2,(H,31,34)

InChI Key

YJCTWHOOCIRQBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.826

Water Solubility, LogSw

-3.90

Polar Surface Area

54.315

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E642-0945 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with E642-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0945?
Check Price and Availability of E642-0945, 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 E642-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0945
  • 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 E642-0945 available by request