K786-2297 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K786-2297 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K786-2297 Screening compound: N-[(2,4-dimethoxyphenyl)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 K786-2297
N-[(2,4-dimethoxyphenyl)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

K786-2297

Molecular Formula

C23H27N3O7S2 (C23 H27 N3 O7 S2)

Compound Name

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

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

COc1cc(OC)c(CNC(CN2c(cc(cc3)S(N4CCOCC4)(=O)=O)c3SCC2=O)=O)cc1

InChI

InChI=1S/C23H27N3O7S2/c1-31-17-4-3-16(20(11-17)32-2)13-24-22(27)14-26-19-12-18(5-6-21(19)34-15-23(26)28)35(29,30)25-7-9-33-10-8-25/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,24,27)

InChI Key

NPERMYLRUPVHCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.62

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.006

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-2.81

Polar Surface Area

94.884

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K786-2297 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 K786-2297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2297?
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What is the minimum amount of K786-2297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2297
  • 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 K786-2297 available by request