Y206-5345 Screening compound: methyl 2-[(4-methyl-5-phenethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate

Y206-5345 Screening compound: methyl 2-[(4-methyl-5-phenethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Y206-5345 Screening compound: methyl 2-[(4-methyl-5-phenethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-5345
methyl 2-[(4-methyl-5-phenethyl-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

Y206-5345

Molecular Formula

C14H17N3O2S (C14 H17 N3 O2 S)

Compound Name

methyl 2-[(4-methyl-5-phenethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate

IUPAC name

methyl 2-{[4-methyl-5-(2-phenylethyl)-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

Cn1c(SCC(OC)=O)nnc1CCc1ccccc1

InChI

InChI=1S/C14H17N3O2S/c1-17-12(9-8-11-6-4-3-5-7-11)15-16-14(17)20-10-13(18)19-2/h3-7H,8-10H2,1-2H3

InChI Key

HRJBQUREDQBSBB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.37

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

1.982

Distribution Coefficient, logD

1.982

Water Solubility, LogSw

-2.13

Polar Surface Area

46.877

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

References: we are preparing a list of scientific research reports with Y206-5345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-5345?
Check Price and Availability of Y206-5345, 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 Y206-5345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-5345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-5345
  • 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 Y206-5345 available by request