F595-0308 Screening compound: ethyl 4-(2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate

F595-0308 Screening compound: ethyl 4-(2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate
F595-0308 Screening compound: ethyl 4-(2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0308
ethyl 4-(2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate

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

F595-0308

Molecular Formula

C21H20FN5O3S (C21 H20 FN5 O3 S)

Compound Name

ethyl 4-(2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[7-(4-fluorophenyl)-5H6H7H-imidazo[21-c][124]triazol-3-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc(n1CC2)nnc1N2c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C21H20FN5O3S/c1-2-30-19(29)14-3-7-16(8-4-14)23-18(28)13-31-21-25-24-20-26(11-12-27(20)21)17-9-5-15(22)6-10-17/h3-10H,2,11-13H2,1H3,(H,23,28)

InChI Key

IBNKDQUIKFHUSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-3.92

Polar Surface Area

70.625

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F595-0308 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Targets:
  • Others
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F595-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0308?
Check Price and Availability of F595-0308, 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 F595-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0308
  • 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 F595-0308 available by request