C311-0942 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(3-methoxypropyl)acetamide

C311-0942 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(3-methoxypropyl)acetamide
C311-0942 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(3-methoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C311-0942
2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(3-methoxypropyl)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

C311-0942

Molecular Formula

C21H21ClN2O4 (C21 H21 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

COCCCNC(CN(c(cccc1)c1O/C1=C/c(cccc2)c2Cl)C1=O)=O

InChI

InChI=1S/C21H21ClN2O4/c1-27-12-6-11-23-20(25)14-24-17-9-4-5-10-18(17)28-19(21(24)26)13-15-7-2-3-8-16(15)22/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,25)

InChI Key

IXAWIXVLHYUJRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

3.037

Water Solubility, LogSw

-3.55

Polar Surface Area

55.960

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C311-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C311-0942?
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What is the minimum amount of C311-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C311-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-0942
  • 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 C311-0942 available by request