C311-1003 Screening compound: N-cycloheptyl-2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C311-1003 Screening compound: N-cycloheptyl-2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C311-1003 Screening compound: N-cycloheptyl-2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C311-1003
N-cycloheptyl-2-[(2E)-2-[(4-fluorophenyl)methylidene]-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

C311-1003

Molecular Formula

C24H25FN2O3 (C24 H25 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1O/C1=C/c(cc2)ccc2F)C1=O)NC1CCCCCC1

InChI

InChI=1S/C24H25FN2O3/c25-18-13-11-17(12-14-18)15-22-24(29)27(20-9-5-6-10-21(20)30-22)16-23(28)26-19-7-3-1-2-4-8-19/h5-6,9-15,19H,1-4,7-8,16H2,(H,26,28)

InChI Key

HJYFZPXZJSGHOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.47

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

4.744

Distribution Coefficient, logD

4.744

Water Solubility, LogSw

-4.68

Polar Surface Area

47.561

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C311-1003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C311-1003?
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What is the minimum amount of C311-1003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C311-1003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-1003
  • 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 C311-1003 available by request