E761-0589 Screening compound: N~5~-(2,4-dimethoxybenzyl)-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

E761-0589 Screening compound: N~5~-(2,4-dimethoxybenzyl)-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide
E761-0589 Screening compound: N~5~-(2,4-dimethoxybenzyl)-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E761-0589
N~5~-(2,4-dimethoxybenzyl)-2-methyl-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

E761-0589

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

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

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-10-methyl-9-thia-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene-2-carboxamide

SMILES

CC(C1)Sc2c3n1c(C(NCc(ccc(OC)c1)c1OC)=O)cc3ccc2

InChI

InChI=1S/C21H22N2O3S/c1-13-12-23-17(9-14-5-4-6-19(27-13)20(14)23)21(24)22-11-15-7-8-16(25-2)10-18(15)26-3/h4-10,13H,11-12H2,1-3H3,(H,22,24)/t13-/m0/s1

InChI Key

IBNINECKYCLHHR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14917145

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

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.36

Polar Surface Area

39.576

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

E761-0589 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E761-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E761-0589?
Check Price and Availability of E761-0589, 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 E761-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E761-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E761-0589
  • 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 E761-0589 available by request