8288-0841 Screening compound: 4-(5-methyl-1-phenyl-1H-1,2,3-triazole-4-amido)benzoic acid

8288-0841 Screening compound: 4-(5-methyl-1-phenyl-1H-1,2,3-triazole-4-amido)benzoic acid
8288-0841 Screening compound: 4-(5-methyl-1-phenyl-1H-1,2,3-triazole-4-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8288-0841
4-(5-methyl-1-phenyl-1H-1,2,3-triazole-4-amido)benzoic acid

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

8288-0841

Molecular Formula

C17H14N4O3 (C17 H14 N4 O3)

Compound Name

4-(5-methyl-1-phenyl-1H-1,2,3-triazole-4-amido)benzoic acid

IUPAC name

4-(5-methyl-1-phenyl-1H-123-triazole-4-amido)benzoic acid

SMILES

Cc1c(C(Nc(cc2)ccc2C(O)=O)=O)nnn1-c1ccccc1

InChI

InChI=1S/C17H14N4O3/c1-11-15(19-20-21(11)14-5-3-2-4-6-14)16(22)18-13-9-7-12(8-10-13)17(23)24/h2-10H,1H3,(H,18,22)(H,23,24)

InChI Key

ACGLYXVAVWJLIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07802360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.597

Distribution Coefficient, logD

0.202

Water Solubility, LogSw

-3.06

Polar Surface Area

78.581

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8288-0841 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8288-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8288-0841?
Check Price and Availability of 8288-0841, 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 8288-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8288-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8288-0841
  • 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 8288-0841 available by request