C311-1598 Screening compound: (2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-(morpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

C311-1598 Screening compound: (2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-(morpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
C311-1598 Screening compound: (2E)-2-[(3-bromo-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 C311-1598
(2E)-2-[(3-bromo-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

C311-1598

Molecular Formula

C22H21BrN2O5 (C22 H21 BrN2 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(/C=C1/Oc(cccc2)c2N(CC(N2CCOCC2)=O)C1=O)c1)c1Br

InChI

InChI=1S/C22H21BrN2O5/c1-28-18-7-6-15(12-16(18)23)13-20-22(27)25(17-4-2-3-5-19(17)30-20)14-21(26)24-8-10-29-11-9-24/h2-7,12-13H,8-11,14H2,1H3

InChI Key

NCRLDBQVRYXSHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.32

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

2.545

Distribution Coefficient, logD

2.545

Water Solubility, LogSw

-2.90

Polar Surface Area

54.964

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 C311-1598 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 C311-1598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-1598
  • 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 C311-1598 available by request