F235-1937 Screening compound: ethyl 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

F235-1937 Screening compound: ethyl 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
F235-1937 Screening compound: ethyl 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1937
ethyl 2-{[5-(4-chlorophenyl)-4-phenyl-4H-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

F235-1937

Molecular Formula

C18H16ClN3O2S (C18 H16 ClN3 O2 S)

Compound Name

ethyl 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[5-(4-chlorophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

CCOC(CSc1nnc(-c(cc2)ccc2Cl)n1-c1ccccc1)=O

InChI

InChI=1S/C18H16ClN3O2S/c1-2-24-16(23)12-25-18-21-20-17(13-8-10-14(19)11-9-13)22(18)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3

InChI Key

XSBUVNCPLKFIHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.66

Polar Surface Area

45.143

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F235-1937 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Eye
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F235-1937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1937?
Check Price and Availability of F235-1937, 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 F235-1937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1937
  • 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 F235-1937 available by request