6405-0096 Screening compound: N~1~-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-methoxybenzamide

6405-0096 Screening compound: N~1~-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-methoxybenzamide
6405-0096 Screening compound: N~1~-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6405-0096
N~1~-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-methoxybenzamide

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

6405-0096

Molecular Formula

C30H24N2O5S (C30 H24 N2 O5 S)

Compound Name

N~1~-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-methoxybenzamide

IUPAC name

N-(3-benzoyl-2-benzyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl)-2-methoxybenzamide

SMILES

COc(cccc1)c1C(NC(c1c2cccc1)=C(C(c1ccccc1)=O)N(Cc1ccccc1)S2(=O)=O)=O

InChI

InChI=1S/C30H24N2O5S/c1-37-25-18-10-8-16-23(25)30(34)31-27-24-17-9-11-19-26(24)38(35,36)32(20-21-12-4-2-5-13-21)28(27)29(33)22-14-6-3-7-15-22/h2-19H,20H2,1H3,(H,31,34)

InChI Key

GGWOSEQZTMUOIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04008431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.020

Distribution Coefficient, logD

-0.551

Water Solubility, LogSw

-4.73

Polar Surface Area

76.060

Acid Dissociation Constant (pKa)

1.83

Base Dissociation Constant (pKb)

-4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

6405-0096 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 6405-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6405-0096?
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What is the minimum amount of 6405-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6405-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6405-0096
  • 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 6405-0096 available by request