2141-0127 Screening compound: 3-phenyl-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

2141-0127 Screening compound: 3-phenyl-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
2141-0127 Screening compound: 3-phenyl-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 2141-0127
3-phenyl-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

2141-0127

Molecular Formula

C11H11N3S (C11 H11 N3 S)

Compound Name

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

IUPAC name

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

SMILES

C=CCN(C(c1ccccc1)=NN1)C1=S

InChI

InChI=1S/C11H11N3S/c1-2-8-14-10(12-13-11(14)15)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,13,15)

InChI Key

ZLSZMYUZPQLFCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00099438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.29

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

2.793

Distribution Coefficient, logD

2.321

Water Solubility, LogSw

-3.03

Polar Surface Area

27.835

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2141-0127 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2141-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2141-0127?
Check Price and Availability of 2141-0127, 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 2141-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2141-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2141-0127
  • 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 2141-0127 available by request