K786-2325 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K786-2325 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K786-2325 Screening compound: N-[(5-bromo-2-methoxyphenyl)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 K786-2325
N-[(5-bromo-2-methoxyphenyl)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

K786-2325

Molecular Formula

C22H24BrN3O6S2 (C22 H24 BrN3 O6 S2)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

COc(cc1)c(CNC(CN2c(cc(cc3)S(N4CCOCC4)(=O)=O)c3SCC2=O)=O)cc1Br

InChI

InChI=1S/C22H24BrN3O6S2/c1-31-19-4-2-16(23)10-15(19)12-24-21(27)13-26-18-11-17(3-5-20(18)33-14-22(26)28)34(29,30)25-6-8-32-9-7-25/h2-5,10-11H,6-9,12-14H2,1H3,(H,24,27)

InChI Key

WWZRWIISFAVEKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

2.680

Water Solubility, LogSw

-3.17

Polar Surface Area

87.340

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

K786-2325 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K786-2325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2325?
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What is the minimum amount of K786-2325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2325
  • 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 K786-2325 available by request