4360-0095F Screening compound: 2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~1~-(4-ethylphenyl)acetamide

4360-0095F Screening compound: 2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~1~-(4-ethylphenyl)acetamide
4360-0095F Screening compound: 2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~1~-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4360-0095F
2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~1~-(4-ethylphenyl)acetamide

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

4360-0095F

Molecular Formula

C19H20N4OS (C19 H20 N4 OS)

Compound Name

2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~1~-(4-ethylphenyl)acetamide

IUPAC name

2-[3-(benzylsulfanyl)-1H-124-triazol-1-yl]-N-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(Cn(cn1)nc1SCc1ccccc1)=O

InChI

InChI=1S/C19H20N4OS/c1-2-15-8-10-17(11-9-15)21-18(24)12-23-14-20-19(22-23)25-13-16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H,21,24)

InChI Key

MDTAHNLYXKYJEH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.09

Polar Surface Area

45.926

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with 4360-0095F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4360-0095F?
Check Price and Availability of 4360-0095F, 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 4360-0095F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4360-0095F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4360-0095F
  • 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 4360-0095F available by request