Y205-7301 Screening compound: ethyl 2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Y205-7301 Screening compound: ethyl 2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Y205-7301 Screening compound: ethyl 2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-7301
ethyl 2-{[5-(4-bromophenyl)-4-ethyl-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

Y205-7301

Molecular Formula

C14H16BrN3O2S (C14 H16 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(OCC)=O)nnc1-c(cc1)ccc1Br

InChI

InChI=1S/C14H16BrN3O2S/c1-3-18-13(10-5-7-11(15)8-6-10)16-17-14(18)21-9-12(19)20-4-2/h5-8H,3-4,9H2,1-2H3

InChI Key

JOKGDIBHVMQOAG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.27

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

3.874

Distribution Coefficient, logD

3.874

Water Solubility, LogSw

-3.86

Polar Surface Area

44.396

Acid Dissociation Constant (pKa)

19.54

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 Y205-7301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-7301?
Check Price and Availability of Y205-7301, 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 Y205-7301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-7301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-7301
  • 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 Y205-7301 available by request