D481-2676 Screening compound: N-benzyl-2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

D481-2676 Screening compound: N-benzyl-2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
D481-2676 Screening compound: N-benzyl-2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-2676
N-benzyl-2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}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

D481-2676

Molecular Formula

C25H23N5O2S (C25 H23 N5 O2 S)

Compound Name

N-benzyl-2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-benzyl-2-{[5-(4-acetamidophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CC(Nc(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(NCc1ccccc1)=O)=O

InChI

InChI=1S/C25H23N5O2S/c1-18(31)27-21-14-12-20(13-15-21)24-28-29-25(30(24)22-10-6-3-7-11-22)33-17-23(32)26-16-19-8-4-2-5-9-19/h2-15H,16-17H2,1H3,(H,26,32)(H,27,31)

InChI Key

UJUQLTIDWSFHEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-3.81

Polar Surface Area

72.446

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D481-2676 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D481-2676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-2676?
Check Price and Availability of D481-2676, 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 D481-2676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-2676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-2676
  • 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 D481-2676 available by request