C309-0931 Screening compound: (2E)-2-[(4-chlorophenyl)methylidene]-6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

C309-0931 Screening compound: (2E)-2-[(4-chlorophenyl)methylidene]-6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
C309-0931 Screening compound: (2E)-2-[(4-chlorophenyl)methylidene]-6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C309-0931
(2E)-2-[(4-chlorophenyl)methylidene]-6-(piperidine-1-carbonyl)-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

C309-0931

Molecular Formula

C21H19ClN2O3 (C21 H19 ClN2 O3)

Compound Name

(2E)-2-[(4-chlorophenyl)methylidene]-6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2E)-2-[(4-chlorophenyl)methylidene]-6-(piperidine-1-carbonyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(c(cc1)cc(NC2=O)c1O/C2=C/c(cc1)ccc1Cl)N1CCCCC1

InChI

InChI=1S/C21H19ClN2O3/c22-16-7-4-14(5-8-16)12-19-20(25)23-17-13-15(6-9-18(17)27-19)21(26)24-10-2-1-3-11-24/h4-9,12-13H,1-3,10-11H2,(H,23,25)

InChI Key

BJYDTQUGJDKFCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.72

Polar Surface Area

49.456

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C309-0931 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 C309-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C309-0931
  • 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 C309-0931 available by request