C226-3480 Screening compound: N-(4-ethylphenyl)-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide

C226-3480 Screening compound: N-(4-ethylphenyl)-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide
C226-3480 Screening compound: N-(4-ethylphenyl)-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-3480
N-(4-ethylphenyl)-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide

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

C226-3480

Molecular Formula

C17H20N2O2 (C17 H20 N2 O2)

Compound Name

N-(4-ethylphenyl)-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide

IUPAC name

N-(4-ethylphenyl)-4H5H6H7H8H-cyclohepta[d][12]oxazole-3-carboxamide

SMILES

CCc(cc1)ccc1NC(c1noc2c1CCCCC2)=O

InChI

InChI=1S/C17H20N2O2/c1-2-12-8-10-13(11-9-12)18-17(20)16-14-6-4-3-5-7-15(14)21-19-16/h8-11H,2-7H2,1H3,(H,18,20)

InChI Key

CTDSBEMGTBNHDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.13

Polar Surface Area

46.061

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

C226-3480 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C226-3480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-3480?
Check Price and Availability of C226-3480, 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 C226-3480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-3480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-3480
  • 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 C226-3480 available by request