E761-0229 Screening compound: N~5~-(2,5-dimethoxyphenethyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

E761-0229 Screening compound: N~5~-(2,5-dimethoxyphenethyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide
E761-0229 Screening compound: N~5~-(2,5-dimethoxyphenethyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E761-0229
N~5~-(2,5-dimethoxyphenethyl)-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

E761-0229

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-25-16-6-7-18(26-2)14(12-16)8-9-22-21(24)17-13-15-4-3-5-19-20(15)23(17)10-11-27-19/h3-7,12-13H,8-11H2,1-2H3,(H,22,24)

InChI Key

CVVJMFCAUWQWBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-4.02

Polar Surface Area

39.484

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E761-0229 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E761-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E761-0229?
Check Price and Availability of E761-0229, 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 E761-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E761-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E761-0229
  • 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 E761-0229 available by request