S553-0167 Screening compound: 1-(4-methylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid

S553-0167 Screening compound: 1-(4-methylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid
S553-0167 Screening compound: 1-(4-methylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0167
1-(4-methylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic 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

S553-0167

Molecular Formula

C15H12N4O2 (C15 H12 N4 O2)

Compound Name

1-(4-methylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

1-(4-methylphenyl)-5-(pyridin-4-yl)-1H-123-triazole-4-carboxylic acid

SMILES

Cc(cc1)ccc1-n1nnc(C(O)=O)c1-c1ccncc1

InChI

InChI=1S/C15H12N4O2/c1-10-2-4-12(5-3-10)19-14(11-6-8-16-9-7-11)13(15(20)21)17-18-19/h2-9H,1H3,(H,20,21)

InChI Key

NSLLISNFTQIZKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10006476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.462

Distribution Coefficient, logD

-4.513

Water Solubility, LogSw

-1.20

Polar Surface Area

63.676

Acid Dissociation Constant (pKa)

1.42

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

S553-0167 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with S553-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0167?
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What is the minimum amount of S553-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0167
  • 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 S553-0167 available by request