K788-8759 Screening compound: N-[(4-methoxyphenyl)methyl]-2-[(2E)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

K788-8759 Screening compound: N-[(4-methoxyphenyl)methyl]-2-[(2E)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
K788-8759 Screening compound: N-[(4-methoxyphenyl)methyl]-2-[(2E)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8759
N-[(4-methoxyphenyl)methyl]-2-[(2E)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

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

K788-8759

Molecular Formula

C26H24N2O4 (C26 H24 N2 O4)

Compound Name

N-[(4-methoxyphenyl)methyl]-2-[(2E)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-2-[(2E)-2-[(3-methylphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

Cc1cccc(/C=C2/Oc(cccc3)c3N(CC(NCc(cc3)ccc3OC)=O)C2=O)c1

InChI

InChI=1S/C26H24N2O4/c1-18-6-5-7-20(14-18)15-24-26(30)28(22-8-3-4-9-23(22)32-24)17-25(29)27-16-19-10-12-21(31-2)13-11-19/h3-15H,16-17H2,1-2H3,(H,27,29)

InChI Key

GANNDYNYQOONQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.44

Polar Surface Area

55.048

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with K788-8759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8759?
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What is the minimum amount of K788-8759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8759
  • 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 K788-8759 available by request