K786-8259 Screening compound: 2-[6-(dipropylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(1-phenylethyl)acetamide

K786-8259 Screening compound: 2-[6-(dipropylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(1-phenylethyl)acetamide
K786-8259 Screening compound: 2-[6-(dipropylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8259
2-[6-(dipropylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(1-phenylethyl)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

K786-8259

Molecular Formula

C24H31N3O4S2 (C24 H31 N3 O4 S2)

Compound Name

2-[6-(dipropylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(1-phenylethyl)acetamide

IUPAC name

n/a

SMILES

CCCN(CCC)S(c(cc1)cc(N2CC(NC(C)c3ccccc3)=O)c1SCC2=O)(=O)=O

InChI

InChI=1S/C24H31N3O4S2/c1-4-13-26(14-5-2)33(30,31)20-11-12-22-21(15-20)27(24(29)17-32-22)16-23(28)25-18(3)19-9-7-6-8-10-19/h6-12,15,18H,4-5,13-14,16-17H2,1-3H3,(H,25,28)/t18-/m0/s1

InChI Key

XMUNPSSCSOUEEW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15101818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.994

Distribution Coefficient, logD

3.994

Water Solubility, LogSw

-3.97

Polar Surface Area

70.857

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

K786-8259 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K786-8259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8259?
Check Price and Availability of K786-8259, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K786-8259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8259
  • 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 K786-8259 available by request