C311-1200 Screening compound: 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide

C311-1200 Screening compound: 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
C311-1200 Screening compound: 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C311-1200
2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(4-methylphenyl)methyl]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

C311-1200

Molecular Formula

C25H20ClFN2O3 (C25 H20 ClFN2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(CN(c(cccc2)c2O/C2=C\c(c(F)ccc3)c3Cl)C2=O)=O)cc1

InChI

InChI=1S/C25H20ClFN2O3/c1-16-9-11-17(12-10-16)14-28-24(30)15-29-21-7-2-3-8-22(21)32-23(25(29)31)13-18-19(26)5-4-6-20(18)27/h2-13H,14-15H2,1H3,(H,28,30)

InChI Key

JPFMFTWQDHBKGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.766

Distribution Coefficient, logD

4.766

Water Solubility, LogSw

-4.88

Polar Surface Area

47.504

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with C311-1200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C311-1200?
Check Price and Availability of C311-1200, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C311-1200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C311-1200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-1200
  • 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 C311-1200 available by request