K788-4794 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

K788-4794 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
K788-4794 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4794
N-[2-(4-methylphenyl)ethyl]-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

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

K788-4794

Molecular Formula

C25H22N2O3 (C25 H22 N2 O3)

Compound Name

N-[2-(4-methylphenyl)ethyl]-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

IUPAC name

N-[2-(4-methylphenyl)ethyl]-4-{[(2Z)-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}benzamide

SMILES

Cc1ccc(CCNC(c2ccc(/C=C3\Oc(cccc4)c4NC3=O)cc2)=O)cc1

InChI

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

InChI Key

AOJXGFOOCYCUPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.42

Polar Surface Area

57.062

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with K788-4794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4794?
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What is the minimum amount of K788-4794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4794
  • 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 K788-4794 available by request