C311-0988 Screening compound: (2E)-2-[(2-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C311-0988 Screening compound: (2E)-2-[(2-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
C311-0988 Screening compound: (2E)-2-[(2-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C311-0988
(2E)-2-[(2-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-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

C311-0988

Molecular Formula

C26H23ClN4O3 (C26 H23 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1O/C1=C/c(cccc2)c2Cl)C1=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C26H23ClN4O3/c27-20-8-2-1-7-19(20)17-23-26(33)31(21-9-3-4-10-22(21)34-23)18-25(32)30-15-13-29(14-16-30)24-11-5-6-12-28-24/h1-12,17H,13-16,18H2

InChI Key

BGVJCNFKAHORJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.157

Distribution Coefficient, logD

4.148

Water Solubility, LogSw

-4.45

Polar Surface Area

51.197

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with C311-0988 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 C311-0988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-0988
  • 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 C311-0988 available by request