Y207-4263 Screening compound: 4-ethyl-3-(2-thienylmethyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole

Y207-4263 Screening compound: 4-ethyl-3-(2-thienylmethyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
Y207-4263 Screening compound: 4-ethyl-3-(2-thienylmethyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y207-4263
4-ethyl-3-(2-thienylmethyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole

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

Y207-4263

Molecular Formula

C17H16F3N3S2 (C17 H16 F3 N3 S2)

Compound Name

4-ethyl-3-(2-thienylmethyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole

IUPAC name

4-ethyl-3-[(thiophen-2-yl)methyl]-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-124-triazole

SMILES

CCn1c(SCc2cc(C(F)(F)F)ccc2)nnc1Cc1cccs1

InChI

InChI=1S/C17H16F3N3S2/c1-2-23-15(10-14-7-4-8-24-14)21-22-16(23)25-11-12-5-3-6-13(9-12)17(18,19)20/h3-9H,2,10-11H2,1H3

InChI Key

LADRVOSXSFJFGL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.48

Polar Surface Area

25.960

Acid Dissociation Constant (pKa)

20.54

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

Y207-4263 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y207-4263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y207-4263?
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What is the minimum amount of Y207-4263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y207-4263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y207-4263
  • 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 Y207-4263 available by request