F595-0357 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[7-(4-methoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide

F595-0357 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[7-(4-methoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
F595-0357 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[7-(4-methoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0357
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[7-(4-methoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide

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

F595-0357

Molecular Formula

C17H19N7O2S3 (C17 H19 N7 O2 S3)

Compound Name

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[7-(4-methoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-2-{[7-(4-methoxyphenyl)-5H6H7H-imidazo[21-c][124]triazol-3-yl]sulfanyl}acetamide

SMILES

CCSc1nnc(NC(CSc(n2CC3)nnc2N3c(cc2)ccc2OC)=O)s1

InChI

InChI=1S/C17H19N7O2S3/c1-3-27-17-22-19-14(29-17)18-13(25)10-28-16-21-20-15-23(8-9-24(15)16)11-4-6-12(26-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,18,19,25)

InChI Key

NNNVDYUBUPMTDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08922371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.663

Distribution Coefficient, logD

3.629

Water Solubility, LogSw

-3.76

Polar Surface Area

80.322

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

F595-0357 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F595-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0357?
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What is the minimum amount of F595-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0357
  • 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 F595-0357 available by request