C311-1031 Screening compound: 2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(propan-2-yloxy)propyl]acetamide

C311-1031 Screening compound: 2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(propan-2-yloxy)propyl]acetamide
C311-1031 Screening compound: 2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(propan-2-yloxy)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C311-1031
2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(propan-2-yloxy)propyl]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

C311-1031

Molecular Formula

C23H25FN2O4 (C23 H25 FN2 O4)

Compound Name

2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(propan-2-yloxy)propyl]acetamide

IUPAC name

2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-[3-(propan-2-yloxy)propyl]acetamide

SMILES

CC(C)OCCCNC(CN(c(cccc1)c1O/C1=C/c(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C23H25FN2O4/c1-16(2)29-13-5-12-25-22(27)15-26-19-6-3-4-7-20(19)30-21(23(26)28)14-17-8-10-18(24)11-9-17/h3-4,6-11,14,16H,5,12-13,15H2,1-2H3,(H,25,27)

InChI Key

DWJLNVWIQMHZIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-3.52

Polar Surface Area

54.818

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C311-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C311-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-1031
  • 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 C311-1031 available by request