C226-3494 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide

C226-3494 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide
C226-3494 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-3494
N-[2-chloro-5-(trifluoromethyl)phenyl]-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

C226-3494

Molecular Formula

C16H14ClF3N2O2 (C16 H14 ClF3 N2 O2)

Compound Name

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

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-4H5H6H7H8H-cyclohepta[d][12]oxazole-3-carboxamide

SMILES

O=C(c1noc2c1CCCCC2)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C16H14ClF3N2O2/c17-11-7-6-9(16(18,19)20)8-12(11)21-15(23)14-10-4-2-1-3-5-13(10)24-22-14/h6-8H,1-5H2,(H,21,23)

InChI Key

GOQXUFJFWRFSCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.75

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

4.755

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.96

Polar Surface Area

45.363

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C226-3494 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C226-3494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-3494?
Check Price and Availability of C226-3494, 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 C226-3494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-3494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-3494
  • 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 C226-3494 available by request