F595-0029 Screening compound: benzyl 2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)acetate

F595-0029 Screening compound: benzyl 2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)acetate
F595-0029 Screening compound: benzyl 2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0029
benzyl 2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)acetate

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

F595-0029

Molecular Formula

C19H18N4O2S (C19 H18 N4 O2 S)

Compound Name

benzyl 2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)acetate

IUPAC name

benzyl 2-({7-phenyl-5H6H7H-imidazo[21-c][124]triazol-3-yl}sulfanyl)acetate

SMILES

O=C(CSc(n1CC2)nnc1N2c1ccccc1)OCc1ccccc1

InChI

InChI=1S/C19H18N4O2S/c24-17(25-13-15-7-3-1-4-8-15)14-26-19-21-20-18-22(11-12-23(18)19)16-9-5-2-6-10-16/h1-10H,11-14H2

InChI Key

UQNQKPHUOBOEEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.697

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-3.94

Polar Surface Area

47.257

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

F595-0029 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F595-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0029?
Check Price and Availability of F595-0029, 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 F595-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0029
  • 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 F595-0029 available by request