D419-0687 Screening compound: 2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

D419-0687 Screening compound: 2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
D419-0687 Screening compound: 2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0687
2-{[5-(3-nitrophenyl)-4-phenyl-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

D419-0687

Molecular Formula

C22H17N5O3S (C22 H17 N5 O3 S)

Compound Name

2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[5-(3-nitrophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N-phenylacetamide

SMILES

[O-][N+](c1cccc(-c(n2-c3ccccc3)nnc2SCC(Nc2ccccc2)=O)c1)=O

InChI

InChI=1S/C22H17N5O3S/c28-20(23-17-9-3-1-4-10-17)15-31-22-25-24-21(26(22)18-11-5-2-6-12-18)16-8-7-13-19(14-16)27(29)30/h1-14H,15H2,(H,23,28)

InChI Key

KZKMZWKWFIQJLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01431485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.418

Distribution Coefficient, logD

4.418

Water Solubility, LogSw

-4.43

Polar Surface Area

81.243

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

D419-0687 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D419-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0687?
Check Price and Availability of D419-0687, 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 D419-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0687
  • 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 D419-0687 available by request