K788-7806 Screening compound: (2E)-N-benzyl-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-7806 Screening compound: (2E)-N-benzyl-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-7806 Screening compound: (2E)-N-benzyl-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7806
(2E)-N-benzyl-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

K788-7806

Molecular Formula

C23H17ClN2O2S (C23 H17 ClN2 O2 S)

Compound Name

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

IUPAC name

(2E)-N-benzyl-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)NCc1ccccc1

InChI

InChI=1S/C23H17ClN2O2S/c24-18-8-4-7-16(11-18)12-21-23(28)26-19-13-17(9-10-20(19)29-21)22(27)25-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,25,27)(H,26,28)

InChI Key

WVEKCRUIDUZVBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

5.116

Water Solubility, LogSw

-5.81

Polar Surface Area

49.258

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with K788-7806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7806?
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What is the minimum amount of K788-7806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7806
  • 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 K788-7806 available by request