2461-0008 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl 3,4,5-trimethoxybenzoate

2461-0008 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl 3,4,5-trimethoxybenzoate
2461-0008 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2461-0008
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl 3,4,5-trimethoxybenzoate

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

2461-0008

Molecular Formula

C19H20N2O7S (C19 H20 N2 O7 S)

Compound Name

2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl 3,4,5-trimethoxybenzoate

IUPAC name

2-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]ethyl 345-trimethoxybenzoate

SMILES

COc1cc(C(OCCNC(c2c3cccc2)=NS3(=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C19H20N2O7S/c1-25-14-10-12(11-15(26-2)17(14)27-3)19(22)28-9-8-20-18-13-6-4-5-7-16(13)29(23,24)21-18/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)

InChI Key

UILHDPOTIMLZBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01446452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.954

Distribution Coefficient, logD

1.954

Water Solubility, LogSw

-2.95

Polar Surface Area

96.034

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

2461-0008 in Drug Discovery

Included in Screening Libraries

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 2461-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2461-0008?
Check Price and Availability of 2461-0008, 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 2461-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2461-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2461-0008
  • 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 2461-0008 available by request