C311-1213 Screening compound: 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2,3-dimethylcyclohexyl)acetamide

C311-1213 Screening compound: 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2,3-dimethylcyclohexyl)acetamide
C311-1213 Screening compound: 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2,3-dimethylcyclohexyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C311-1213
2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2,3-dimethylcyclohexyl)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

C311-1213

Molecular Formula

C25H26ClFN2O3 (C25 H26 ClFN2 O3)

Compound Name

2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2,3-dimethylcyclohexyl)acetamide

IUPAC name

2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-(23-dimethylcyclohexyl)acetamide

SMILES

CC(CCC1)C(C)C1NC(CN(c(cccc1)c1O/C1=C\c(c(F)ccc2)c2Cl)C1=O)=O

InChI

InChI=1S/C25H26ClFN2O3/c1-15-7-5-10-20(16(15)2)28-24(30)14-29-21-11-3-4-12-22(21)32-23(25(29)31)13-17-18(26)8-6-9-19(17)27/h3-4,6,8-9,11-13,15-16,20H,5,7,10,14H2,1-2H3,(H,28,30)

InChI Key

PUWVHSULKHZFMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.94

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

4.706

Distribution Coefficient, logD

4.706

Water Solubility, LogSw

-4.86

Polar Surface Area

47.620

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C311-1213 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 C311-1213
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-1213
  • 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 C311-1213 available by request