5169-1136 Screening compound: 2-{3-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol

5169-1136 Screening compound: 2-{3-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
5169-1136 Screening compound: 2-{3-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5169-1136
2-{3-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol

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

5169-1136

Molecular Formula

C24H21N3O3 (C24 H21 N3 O3)

Compound Name

2-{3-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol

IUPAC name

2-{3-[(1E)-2-(34-dimethoxyphenyl)ethenyl]-1-phenyl-1H-124-triazol-5-yl}phenol

SMILES

COc(ccc(/C=C/c(nc1-c(cccc2)c2O)nn1-c1ccccc1)c1)c1OC

InChI

InChI=1S/C24H21N3O3/c1-29-21-14-12-17(16-22(21)30-2)13-15-23-25-24(19-10-6-7-11-20(19)28)27(26-23)18-8-4-3-5-9-18/h3-16,28H,1-2H3

InChI Key

NPCBRHWKTKGKNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00767772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.332

Distribution Coefficient, logD

5.148

Water Solubility, LogSw

-5.25

Polar Surface Area

56.417

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

5169-1136 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5169-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5169-1136?
Check Price and Availability of 5169-1136, 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 5169-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5169-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5169-1136
  • 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 5169-1136 available by request