S553-0438 Screening compound: 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-1,2,3-triazole-4-carboxylic acid

S553-0438 Screening compound: 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-1,2,3-triazole-4-carboxylic acid
S553-0438 Screening compound: 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0438
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-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

S553-0438

Molecular Formula

C11H10FN3O3 (C11 H10 FN3 O3)

Compound Name

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-123-triazole-4-carboxylic acid

SMILES

OC(Cn1nnc(C(O)=O)c1)c(cc1)ccc1F

InChI

InChI=1S/C11H10FN3O3/c12-8-3-1-7(2-4-8)10(16)6-15-5-9(11(17)18)13-14-15/h1-5,10,16H,6H2,(H,17,18)/t10-/m0/s1

InChI Key

ZGTYHXHELYCNKV-JTQLQIEISA-N

MDL Number (MFCD)

MFCD25952442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.233

Distribution Coefficient, logD

-4.154

Water Solubility, LogSw

-1.13

Polar Surface Area

71.312

Acid Dissociation Constant (pKa)

3.01

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

S553-0438 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with S553-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0438?
Check Price and Availability of S553-0438, 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 S553-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0438
  • 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 S553-0438 available by request