K788-7823 Screening compound: (2E)-N-[2-(azepan-1-yl)ethyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-7823 Screening compound: (2E)-N-[2-(azepan-1-yl)ethyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-7823 Screening compound: (2E)-N-[2-(azepan-1-yl)ethyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7823
(2E)-N-[2-(azepan-1-yl)ethyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

K788-7823

Molecular Formula

C24H26ClN3O2S (C24 H26 ClN3 O2 S)

Compound Name

(2E)-N-[2-(azepan-1-yl)ethyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2E)-N-[2-(azepan-1-yl)ethyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc(NC2=O)c1S/C2=C/c1cccc(Cl)c1)NCCN1CCCCCC1

InChI

InChI=1S/C24H26ClN3O2S/c25-19-7-5-6-17(14-19)15-22-24(30)27-20-16-18(8-9-21(20)31-22)23(29)26-10-13-28-11-3-1-2-4-12-28/h5-9,14-16H,1-4,10-13H2,(H,26,29)(H,27,30)

InChI Key

MIOPLAWIQBEEON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.791

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.90

Polar Surface Area

53.413

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with K788-7823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7823?
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What is the minimum amount of K788-7823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7823
  • 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 K788-7823 available by request