C082-0808 Screening compound: 2-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-ethyl-N-[3-(trifluoromethyl)phenyl]acetamide

C082-0808 Screening compound: 2-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-ethyl-N-[3-(trifluoromethyl)phenyl]acetamide
C082-0808 Screening compound: 2-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-ethyl-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-0808
2-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-ethyl-N-[3-(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

C082-0808

Molecular Formula

C18H14ClF3N2O3 (C18 H14 ClF3 N2 O3)

Compound Name

2-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-ethyl-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(6-chloro-2-oxo-23-dihydro-13-benzoxazol-3-yl)-N-ethyl-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

CCN(C(CN(c(ccc(Cl)c1)c1O1)C1=O)=O)c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C18H14ClF3N2O3/c1-2-23(13-5-3-4-11(8-13)18(20,21)22)16(25)10-24-14-7-6-12(19)9-15(14)27-17(24)26/h3-9H,2,10H2,1H3

InChI Key

QWLOOUQSDFGTME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.72

Polar Surface Area

38.158

Acid Dissociation Constant (pKa)

19.89

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C082-0808 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C082-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0808?
Check Price and Availability of C082-0808, 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 C082-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0808
  • 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 C082-0808 available by request