5750-2194 Screening compound: 3-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

5750-2194 Screening compound: 3-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
5750-2194 Screening compound: 3-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-2194
3-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

5750-2194

Molecular Formula

C11H10ClN3S (C11 H10 ClN3 S)

Compound Name

3-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(2-chlorophenyl)-4-(prop-2-en-1-yl)-45-dihydro-1H-124-triazole-5-thione

SMILES

C=CCN(C(c(cccc1)c1Cl)=NN1)C1=S

InChI

InChI=1S/C11H10ClN3S/c1-2-7-15-10(13-14-11(15)16)8-5-3-4-6-9(8)12/h2-6H,1,7H2,(H,14,16)

InChI Key

PDCUSSPUBSHCDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.312

Distribution Coefficient, logD

1.177

Water Solubility, LogSw

-4.03

Polar Surface Area

27.835

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 5750-2194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-2194?
Check Price and Availability of 5750-2194, 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 5750-2194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-2194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-2194
  • 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 5750-2194 available by request