C311-0444 Screening compound: N-cyclohexyl-2-[2-[(Z)-1-(2-fluorophenyl)methylidene]-3-oxo-2H-1,4-benzoxazin-4(3H)-yl]acetamide

C311-0444 Screening compound: N-cyclohexyl-2-[2-[(Z)-1-(2-fluorophenyl)methylidene]-3-oxo-2H-1,4-benzoxazin-4(3H)-yl]acetamide
C311-0444 Screening compound: N-cyclohexyl-2-[2-[(Z)-1-(2-fluorophenyl)methylidene]-3-oxo-2H-1,4-benzoxazin-4(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C311-0444
N-cyclohexyl-2-[2-[(Z)-1-(2-fluorophenyl)methylidene]-3-oxo-2H-1,4-benzoxazin-4(3H)-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

C311-0444

Molecular Formula

C23H23FN2O3 (C23 H23 FN2 O3)

Compound Name

N-cyclohexyl-2-[2-[(Z)-1-(2-fluorophenyl)methylidene]-3-oxo-2H-1,4-benzoxazin-4(3H)-yl]acetamide

IUPAC name

N-cyclohexyl-2-[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

O=C(CN(c(cccc1)c1O/C1=C\c(cccc2)c2F)C1=O)NC1CCCCC1

InChI

InChI=1S/C23H23FN2O3/c24-18-11-5-4-8-16(18)14-21-23(28)26(19-12-6-7-13-20(19)29-21)15-22(27)25-17-9-2-1-3-10-17/h4-8,11-14,17H,1-3,9-10,15H2,(H,25,27)

InChI Key

WHLIOWPRMOMWMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

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

4.326

Distribution Coefficient, logD

4.326

Water Solubility, LogSw

-4.50

Polar Surface Area

47.230

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

References: we are preparing a list of scientific research reports with C311-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C311-0444?
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What is the minimum amount of C311-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C311-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-0444
  • 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 C311-0444 available by request