D481-2685 Screening compound: 2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

D481-2685 Screening compound: 2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
D481-2685 Screening compound: 2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-2685
2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)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

D481-2685

Molecular Formula

C25H23N5O3S (C25 H23 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(Nc1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C25H23N5O3S/c1-17(31)26-19-13-11-18(12-14-19)24-28-29-25(30(24)21-8-4-3-5-9-21)34-16-23(32)27-20-7-6-10-22(15-20)33-2/h3-15H,16H2,1-2H3,(H,26,31)(H,27,32)

InChI Key

MPCBREQHHQZKHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-4.15

Polar Surface Area

78.668

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D481-2685 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

References: we are preparing a list of scientific research reports with D481-2685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-2685?
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What is the minimum amount of D481-2685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-2685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-2685
  • 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 D481-2685 available by request