C311-0950 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamide

C311-0950 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamide
C311-0950 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C311-0950
2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)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

C311-0950

Molecular Formula

C26H21ClN2O5 (C26 H21 ClN2 O5)

Compound Name

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

IUPAC name

2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-[(23-dihydro-14-benzodioxin-2-yl)methyl]acetamide

SMILES

O=C(CN(c(cccc1)c1O/C1=C/c(cccc2)c2Cl)C1=O)NCC1Oc(cccc2)c2OC1

InChI

InChI=1S/C26H21ClN2O5/c27-19-8-2-1-7-17(19)13-24-26(31)29(20-9-3-4-10-21(20)34-24)15-25(30)28-14-18-16-32-22-11-5-6-12-23(22)33-18/h1-13,18H,14-16H2,(H,28,30)/t18-/m0/s1

InChI Key

ONQMXOGZIWXUPK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14747783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

4.272

Water Solubility, LogSw

-4.51

Polar Surface Area

63.184

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

C311-0950 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C311-0950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C311-0950?
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What is the minimum amount of C311-0950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C311-0950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-0950
  • 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 C311-0950 available by request