3784-0014 Screening compound: 3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-phenylpropanamide

3784-0014 Screening compound: 3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-phenylpropanamide
3784-0014 Screening compound: 3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3784-0014
3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-phenylpropanamide

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

3784-0014

Molecular Formula

C12H14N4OS (C12 H14 N4 OS)

Compound Name

3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-phenylpropanamide

IUPAC name

n/a

SMILES

Cn1c(SCCC(Nc2ccccc2)=O)nnc1

InChI

InChI=1S/C12H14N4OS/c1-16-9-13-15-12(16)18-8-7-11(17)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,17)

InChI Key

LMIBYCRWLPEXMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.104

Distribution Coefficient, logD

1.104

Water Solubility, LogSw

-2.16

Polar Surface Area

48.882

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3784-0014 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3784-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3784-0014?
Check Price and Availability of 3784-0014, 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 3784-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3784-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3784-0014
  • 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 3784-0014 available by request