K786-2305 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K786-2305 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K786-2305 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2305
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-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

K786-2305

Molecular Formula

C24H29N3O7S2 (C24 H29 N3 O7 S2)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

COc(ccc(CCNC(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)=O)c1)c1OC

InChI

InChI=1S/C24H29N3O7S2/c1-32-20-5-3-17(13-21(20)33-2)7-8-25-23(28)15-27-19-14-18(4-6-22(19)35-16-24(27)29)36(30,31)26-9-11-34-12-10-26/h3-6,13-14H,7-12,15-16H2,1-2H3,(H,25,28)

InChI Key

BEMZFKPKLSCWPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.64

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.078

Distribution Coefficient, logD

1.078

Water Solubility, LogSw

-2.54

Polar Surface Area

94.812

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

K786-2305 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with K786-2305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2305?
Check Price and Availability of K786-2305, 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 K786-2305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2305
  • 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 K786-2305 available by request