Y206-5247 Screening compound: methyl 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Y206-5247 Screening compound: methyl 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Y206-5247 Screening compound: methyl 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-5247
methyl 2-{[4-ethyl-5-(4-methoxyphenyl)-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

Y206-5247

Molecular Formula

C14H17N3O3S (C14 H17 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(OC)=O)nnc1-c(cc1)ccc1OC

InChI

InChI=1S/C14H17N3O3S/c1-4-17-13(10-5-7-11(19-2)8-6-10)15-16-14(17)21-9-12(18)20-3/h5-8H,4,9H2,1-3H3

InChI Key

KFCJVSBOPGESJI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.432

Distribution Coefficient, logD

2.432

Water Solubility, LogSw

-2.49

Polar Surface Area

52.360

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

References: we are preparing a list of scientific research reports with Y206-5247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-5247?
Check Price and Availability of Y206-5247, 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 Y206-5247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-5247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-5247
  • 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 Y206-5247 available by request