Y205-1075 Screening compound: 3,4-dichlorobenzyl (5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl) sulfide

Y205-1075 Screening compound: 3,4-dichlorobenzyl (5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl) sulfide
Y205-1075 Screening compound: 3,4-dichlorobenzyl (5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-1075
3,4-dichlorobenzyl (5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl) sulfide

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

Y205-1075

Molecular Formula

C12H13Cl2N3S (C12 H13 Cl2 N3 S)

Compound Name

3,4-dichlorobenzyl (5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl) sulfide

IUPAC name

3-{[(34-dichlorophenyl)methyl]sulfanyl}-5-ethyl-4-methyl-4H-124-triazole

SMILES

CCc(n1C)nnc1SCc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C12H13Cl2N3S/c1-3-11-15-16-12(17(11)2)18-7-8-4-5-9(13)10(14)6-8/h4-6H,3,7H2,1-2H3

InChI Key

JTRCPELXTNEMCN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.728

Distribution Coefficient, logD

3.728

Water Solubility, LogSw

-3.89

Polar Surface Area

26.299

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with Y205-1075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-1075?
Check Price and Availability of Y205-1075, 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 Y205-1075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-1075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-1075
  • 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 Y205-1075 available by request