K788-6288 Screening compound: 2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(2-chlorophenyl)methyl]acetamide

K788-6288 Screening compound: 2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(2-chlorophenyl)methyl]acetamide
K788-6288 Screening compound: 2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(2-chlorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6288
2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(2-chlorophenyl)methyl]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

K788-6288

Molecular Formula

C24H18BrClN2O3 (C24 H18 BrClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1O/C1=C/c(cccc2)c2Br)C1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C24H18BrClN2O3/c25-18-9-3-1-7-16(18)13-22-24(30)28(20-11-5-6-12-21(20)31-22)15-23(29)27-14-17-8-2-4-10-19(17)26/h1-13H,14-15H2,(H,27,29)

InChI Key

PTJVKSASUAYIBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.78

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

5.342

Distribution Coefficient, logD

5.342

Water Solubility, LogSw

-5.85

Polar Surface Area

47.504

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with K788-6288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6288?
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What is the minimum amount of K788-6288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6288
  • 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 K788-6288 available by request