Y205-6826 Screening compound: 3-[(3-bromobenzyl)sulfanyl]-5-cyclohexyl-4-ethyl-4H-1,2,4-triazole

Y205-6826 Screening compound: 3-[(3-bromobenzyl)sulfanyl]-5-cyclohexyl-4-ethyl-4H-1,2,4-triazole
Y205-6826 Screening compound: 3-[(3-bromobenzyl)sulfanyl]-5-cyclohexyl-4-ethyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-6826
3-[(3-bromobenzyl)sulfanyl]-5-cyclohexyl-4-ethyl-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

Y205-6826

Molecular Formula

C17H22BrN3S (C17 H22 BrN3 S)

Compound Name

3-[(3-bromobenzyl)sulfanyl]-5-cyclohexyl-4-ethyl-4H-1,2,4-triazole

IUPAC name

3-{[(3-bromophenyl)methyl]sulfanyl}-5-cyclohexyl-4-ethyl-4H-124-triazole

SMILES

CCn1c(SCc2cccc(Br)c2)nnc1C1CCCCC1

InChI

InChI=1S/C17H22BrN3S/c1-2-21-16(14-8-4-3-5-9-14)19-20-17(21)22-12-13-7-6-10-15(18)11-13/h6-7,10-11,14H,2-5,8-9,12H2,1H3

InChI Key

OPGOLWYNNSPRBY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.354

Distribution Coefficient, logD

5.354

Water Solubility, LogSw

-5.37

Polar Surface Area

24.158

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

Y205-6826 in Drug Discovery

Included in Screening Libraries

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 Y205-6826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-6826?
Check Price and Availability of Y205-6826, 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 Y205-6826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-6826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-6826
  • 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 Y205-6826 available by request