K788-6410 Screening compound: N-[(4-methylphenyl)methyl]-2-[(2E)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

K788-6410 Screening compound: N-[(4-methylphenyl)methyl]-2-[(2E)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
K788-6410 Screening compound: N-[(4-methylphenyl)methyl]-2-[(2E)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6410
N-[(4-methylphenyl)methyl]-2-[(2E)-3-oxo-2-(phenylmethylidene)-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

K788-6410

Molecular Formula

C25H22N2O3 (C25 H22 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(CN(c(cccc2)c2O/C2=C/c3ccccc3)C2=O)=O)cc1

InChI

InChI=1S/C25H22N2O3/c1-18-11-13-20(14-12-18)16-26-24(28)17-27-21-9-5-6-10-22(21)30-23(25(27)29)15-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,26,28)

InChI Key

PMKFBPJHWCBUDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.46

Polar Surface Area

47.504

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with K788-6410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6410?
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What is the minimum amount of K788-6410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6410
  • 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 K788-6410 available by request