6405-0003 Screening compound: 3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenoxyacetate

6405-0003 Screening compound: 3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenoxyacetate
6405-0003 Screening compound: 3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenoxyacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6405-0003
3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenoxyacetate

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

6405-0003

Molecular Formula

C24H19NO6S (C24 H19 NO6 S)

Compound Name

3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenoxyacetate

IUPAC name

3-benzoyl-2-methyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl 2-phenoxyacetate

SMILES

CN(C(C(c1ccccc1)=O)=C(c1c2cccc1)OC(COc1ccccc1)=O)S2(=O)=O

InChI

InChI=1S/C24H19NO6S/c1-25-22(23(27)17-10-4-2-5-11-17)24(19-14-8-9-15-20(19)32(25,28)29)31-21(26)16-30-18-12-6-3-7-13-18/h2-15H,16H2,1H3

InChI Key

NXKUPCCRSKDGFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04017584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

4.250

Water Solubility, LogSw

-4.42

Polar Surface Area

74.016

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

-10.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

6405-0003 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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 6405-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6405-0003?
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What is the minimum amount of 6405-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6405-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6405-0003
  • 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 6405-0003 available by request