C311-0257 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

C311-0257 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
C311-0257 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C311-0257
(2E)-2-[(3-chlorophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

C311-0257

Molecular Formula

C21H19ClN2O3 (C21 H19 ClN2 O3)

Compound Name

(2E)-2-[(3-chlorophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2E)-2-[(3-chlorophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(CN(c(cccc1)c1O/C1=C/c2cccc(Cl)c2)C1=O)N1CCCC1

InChI

InChI=1S/C21H19ClN2O3/c22-16-7-5-6-15(12-16)13-19-21(26)24(14-20(25)23-10-3-4-11-23)17-8-1-2-9-18(17)27-19/h1-2,5-9,12-13H,3-4,10-11,14H2

InChI Key

ARAMSQXRQFKTTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-4.19

Polar Surface Area

39.791

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C311-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C311-0257?
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What is the minimum amount of C311-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C311-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-0257
  • 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 C311-0257 available by request