K904-0016 Screening compound: 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

K904-0016 Screening compound: 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
K904-0016 Screening compound: 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K904-0016
2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

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

K904-0016

Molecular Formula

C16H11F3N2O3 (C16 H11 F3 N2 O3)

Compound Name

2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN(c(cccc1)c1O1)C1=O)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C16H11F3N2O3/c17-16(18,19)10-5-1-2-6-11(10)20-14(22)9-21-12-7-3-4-8-13(12)24-15(21)23/h1-8H,9H2,(H,20,22)

InChI Key

KQOZQUQSJVZSKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

3.120

Water Solubility, LogSw

-3.65

Polar Surface Area

45.519

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K904-0016 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with K904-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K904-0016?
Check Price and Availability of K904-0016, 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 K904-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K904-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K904-0016
  • 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 K904-0016 available by request