K786-2288 Screening compound: N-[(2-chloro-6-fluorophenyl)methyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K786-2288 Screening compound: N-[(2-chloro-6-fluorophenyl)methyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K786-2288 Screening compound: N-[(2-chloro-6-fluorophenyl)methyl]-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 K786-2288
N-[(2-chloro-6-fluorophenyl)methyl]-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

K786-2288

Molecular Formula

C21H21ClFN3O5S2 (C21 H21 ClFN3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)NCc(c(F)ccc1)c1Cl

InChI

InChI=1S/C21H21ClFN3O5S2/c22-16-2-1-3-17(23)15(16)11-24-20(27)12-26-18-10-14(4-5-19(18)32-13-21(26)28)33(29,30)25-6-8-31-9-7-25/h1-5,10H,6-9,11-13H2,(H,24,27)

InChI Key

DMDAYGMPZFAMSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.685

Distribution Coefficient, logD

2.685

Water Solubility, LogSw

-3.47

Polar Surface Area

79.710

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K786-2288 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 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 K786-2288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2288?
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What is the minimum amount of K786-2288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2288
  • 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 K786-2288 available by request