F595-0381 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one

F595-0381 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one
F595-0381 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0381
1-(2,3-dihydro-1H-indol-1-yl)-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}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

F595-0381

Molecular Formula

C22H23N5O2S (C22 H23 N5 O2 S)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-{[7-(4-ethoxyphenyl)-5H6H7H-imidazo[21-c][124]triazol-3-yl]sulfanyl}ethan-1-one

SMILES

CCOc(cc1)ccc1N(CCn12)c2nnc1SCC(N(CC1)c2c1cccc2)=O

InChI

InChI=1S/C22H23N5O2S/c1-2-29-18-9-7-17(8-10-18)25-13-14-27-21(25)23-24-22(27)30-15-20(28)26-12-11-16-5-3-4-6-19(16)26/h3-10H,2,11-15H2,1H3

InChI Key

IIJGJXMKHPWYLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08922401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.806

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-3.76

Polar Surface Area

49.269

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F595-0381 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Kinases
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F595-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0381?
Check Price and Availability of F595-0381, 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 F595-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0381
  • 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 F595-0381 available by request