C311-0213 Screening compound: 2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

C311-0213 Screening compound: 2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
C311-0213 Screening compound: 2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C311-0213
2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(1-ethylpyrrolidin-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

C311-0213

Molecular Formula

C24H26ClN3O3 (C24 H26 ClN3 O3)

Compound Name

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

IUPAC name

2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

SMILES

CCN1C(CNC(CN(c(cccc2)c2O/C2=C/c3cccc(Cl)c3)C2=O)=O)CCC1

InChI

InChI=1S/C24H26ClN3O3/c1-2-27-12-6-9-19(27)15-26-23(29)16-28-20-10-3-4-11-21(20)31-22(24(28)30)14-17-7-5-8-18(25)13-17/h3-5,7-8,10-11,13-14,19H,2,6,9,12,15-16H2,1H3,(H,26,29)/t19-/m1/s1

InChI Key

LCOOPOKSONDHFX-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14747686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.437

Distribution Coefficient, logD

2.454

Water Solubility, LogSw

-3.95

Polar Surface Area

51.411

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

8.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C311-0213 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 C311-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-0213
  • 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 C311-0213 available by request