K788-8149 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[(2E)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

K788-8149 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[(2E)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
K788-8149 Screening compound: N-[2-(4-chlorophenyl)ethyl]-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 K788-8149
N-[2-(4-chlorophenyl)ethyl]-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

K788-8149

Molecular Formula

C26H23ClN2O3 (C26 H23 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(/C=C2/Oc(cccc3)c3N(CC(NCCc(cc3)ccc3Cl)=O)C2=O)c1

InChI

InChI=1S/C26H23ClN2O3/c1-18-5-4-6-20(15-18)16-24-26(31)29(22-7-2-3-8-23(22)32-24)17-25(30)28-14-13-19-9-11-21(27)12-10-19/h2-12,15-16H,13-14,17H2,1H3,(H,28,30)

InChI Key

SBEBFPARVGMKFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.842

Distribution Coefficient, logD

4.842

Water Solubility, LogSw

-4.93

Polar Surface Area

47.346

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with K788-8149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8149?
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What is the minimum amount of K788-8149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8149
  • 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 K788-8149 available by request