E761-0563 Screening compound: 2-methyl-N~5~-(2,3,4-trimethoxyphenethyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E761-0563
2-methyl-N~5~-(2,3,4-trimethoxyphenethyl)-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
E761-0563
Molecular Formula
C23H26N2O4S (C23 H26 N2 O4 S)
Compound Name
2-methyl-N~5~-(2,3,4-trimethoxyphenethyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide
IUPAC name
10-methyl-N-[2-(234-trimethoxyphenyl)ethyl]-9-thia-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene-2-carboxamide
SMILES
CC(C1)Sc2c3n1c(C(NCCc(ccc(OC)c1OC)c1OC)=O)cc3ccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
426.54
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.125
Distribution Coefficient, logD
4.125
Water Solubility, LogSw
-4.29
Polar Surface Area
47.308
Acid Dissociation Constant (pKa)
13.61
Base Dissociation Constant (pKb)
3.42
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
34.80
E761-0563 in Drug Discovery
Included in Screening Libraries
Antimitotic Tubulin Library (17355 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
References: we are preparing a list of scientific research reports with E761-0563 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)