C311-0085 Screening compound: (2Z)-2-[(4-methoxyphenyl)methylidene]-4-[2-(morpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

C311-0085 Screening compound: (2Z)-2-[(4-methoxyphenyl)methylidene]-4-[2-(morpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
C311-0085 Screening compound: (2Z)-2-[(4-methoxyphenyl)methylidene]-4-[2-(morpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C311-0085
(2Z)-2-[(4-methoxyphenyl)methylidene]-4-[2-(morpholin-4-yl)-2-oxoethyl]-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

C311-0085

Molecular Formula

C22H22N2O5 (C22 H22 N2 O5)

Compound Name

(2Z)-2-[(4-methoxyphenyl)methylidene]-4-[2-(morpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2Z)-2-[(4-methoxyphenyl)methylidene]-4-[2-(morpholin-4-yl)-2-oxoethyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

COc1ccc(/C=C2\Oc(cccc3)c3N(CC(N3CCOCC3)=O)C2=O)cc1

InChI

InChI=1S/C22H22N2O5/c1-27-17-8-6-16(7-9-17)14-20-22(26)24(18-4-2-3-5-19(18)29-20)15-21(25)23-10-12-28-13-11-23/h2-9,14H,10-13,15H2,1H3

InChI Key

CKPBWBSFWVFBQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.173

Distribution Coefficient, logD

2.173

Water Solubility, LogSw

-2.59

Polar Surface Area

54.878

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C311-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C311-0085?
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What is the minimum amount of C311-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C311-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-0085
  • 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 C311-0085 available by request