8011-4197 Screening compound: ethyl 4-{2-[5-(4-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}benzoate

8011-4197 Screening compound: ethyl 4-{2-[5-(4-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}benzoate
8011-4197 Screening compound: ethyl 4-{2-[5-(4-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4197
ethyl 4-{2-[5-(4-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}benzoate

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

8011-4197

Molecular Formula

C18H16FN5O3 (C18 H16 FN5 O3)

Compound Name

ethyl 4-{2-[5-(4-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[5-(4-fluorophenyl)-2H-1234-tetrazol-2-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(Cn1nnc(-c(cc2)ccc2F)n1)=O)=O

InChI

InChI=1S/C18H16FN5O3/c1-2-27-18(26)13-5-9-15(10-6-13)20-16(25)11-24-22-17(21-23-24)12-3-7-14(19)8-4-12/h3-10H,2,11H2,1H3,(H,20,25)

InChI Key

FMZSKZKRKYRHLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02182420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.429

Distribution Coefficient, logD

3.429

Water Solubility, LogSw

-3.45

Polar Surface Area

82.245

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8011-4197 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8011-4197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4197?
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What is the minimum amount of 8011-4197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4197
  • 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 8011-4197 available by request