E761-0320 Screening compound: N~5~-(2,5-dimethoxybenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

E761-0320 Screening compound: N~5~-(2,5-dimethoxybenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide
E761-0320 Screening compound: N~5~-(2,5-dimethoxybenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E761-0320
N~5~-(2,5-dimethoxybenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

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

E761-0320

Molecular Formula

C20H20N2O3S (C20 H20 N2 O3 S)

Compound Name

N~5~-(2,5-dimethoxybenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-9-thia-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene-2-carboxamide

SMILES

COc(cc1)cc(CNC(c2cc3cccc4c3n2CCS4)=O)c1OC

InChI

InChI=1S/C20H20N2O3S/c1-24-15-6-7-17(25-2)14(10-15)12-21-20(23)16-11-13-4-3-5-18-19(13)22(16)8-9-26-18/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)

InChI Key

CAOHFGOCXZXMNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.615

Distribution Coefficient, logD

3.615

Water Solubility, LogSw

-3.83

Polar Surface Area

39.643

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E761-0320 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with E761-0320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E761-0320?
Check Price and Availability of E761-0320, 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 E761-0320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E761-0320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E761-0320
  • 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 E761-0320 available by request