8018-1238 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

8018-1238 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide
8018-1238 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1238
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)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

8018-1238

Molecular Formula

C17H12ClF3N2O3 (C17 H12 ClF3 N2 O3)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamide

SMILES

O=C(CN1c(cccc2)c2OCC1=O)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C17H12ClF3N2O3/c18-11-6-5-10(17(19,20)21)7-12(11)22-15(24)8-23-13-3-1-2-4-14(13)26-9-16(23)25/h1-7H,8-9H2,(H,22,24)

InChI Key

PPDRXJMJSMSCDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.74

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

3.353

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-3.71

Polar Surface Area

46.520

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 8018-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1238?
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What is the minimum amount of 8018-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1238
  • 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 8018-1238 available by request