D419-0027 Screening compound: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

D419-0027 Screening compound: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
D419-0027 Screening compound: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0027
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

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

D419-0027

Molecular Formula

C22H18N4OS (C22 H18 N4 OS)

Compound Name

2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

IUPAC name

2-[(45-diphenyl-4H-124-triazol-3-yl)sulfanyl]-N-phenylacetamide

SMILES

O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccccc1

InChI

InChI=1S/C22H18N4OS/c27-20(23-18-12-6-2-7-13-18)16-28-22-25-24-21(17-10-4-1-5-11-17)26(22)19-14-8-3-9-15-19/h1-15H,16H2,(H,23,27)

InChI Key

XMPCCKDZLCJXSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01432260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.369

Distribution Coefficient, logD

4.369

Water Solubility, LogSw

-4.34

Polar Surface Area

47.862

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with D419-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0027?
Check Price and Availability of D419-0027, 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 D419-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0027
  • 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 D419-0027 available by request