Y206-5458 Screening compound: 3-cyclopropyl-4-isopropyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazole

Y206-5458 Screening compound: 3-cyclopropyl-4-isopropyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazole
Y206-5458 Screening compound: 3-cyclopropyl-4-isopropyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-5458
3-cyclopropyl-4-isopropyl-5-[(4-methylbenzyl)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

Y206-5458

Molecular Formula

C16H21N3S (C16 H21 N3 S)

Compound Name

3-cyclopropyl-4-isopropyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazole

IUPAC name

3-cyclopropyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-124-triazole

SMILES

CC(C)n1c(SCc2ccc(C)cc2)nnc1C1CC1

InChI

InChI=1S/C16H21N3S/c1-11(2)19-15(14-8-9-14)17-18-16(19)20-10-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10H2,1-3H3

InChI Key

WARWGWCQNKHFPD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.43

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

3.849

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-3.83

Polar Surface Area

25.839

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y206-5458 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y206-5458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-5458?
Check Price and Availability of Y206-5458, 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 Y206-5458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-5458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-5458
  • 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 Y206-5458 available by request