6405-0125 Screening compound: N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-3,4-dimethoxybenzamide

6405-0125 Screening compound: N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-3,4-dimethoxybenzamide
6405-0125 Screening compound: N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6405-0125
N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-3,4-dimethoxybenzamide

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

6405-0125

Molecular Formula

C29H30N2O6S (C29 H30 N2 O6 S)

Compound Name

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

IUPAC name

N-(3-benzoyl-11-dioxo-2-pentyl-2H-1lambda62-benzothiazin-4-yl)-34-dimethoxybenzamide

SMILES

CCCCCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)NC(c(cc1)cc(OC)c1OC)=O)S2(=O)=O

InChI

InChI=1S/C29H30N2O6S/c1-4-5-11-18-31-27(28(32)20-12-7-6-8-13-20)26(22-14-9-10-15-25(22)38(31,34)35)30-29(33)21-16-17-23(36-2)24(19-21)37-3/h6-10,12-17,19H,4-5,11,18H2,1-3H3,(H,30,33)

InChI Key

RYWFNMJDJCKPSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04020943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.133

Distribution Coefficient, logD

1.370

Water Solubility, LogSw

-4.80

Polar Surface Area

83.940

Acid Dissociation Constant (pKa)

3.64

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

6405-0125 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 6405-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6405-0125?
Check Price and Availability of 6405-0125, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6405-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6405-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6405-0125
  • 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 6405-0125 available by request