E761-0001 Screening compound: N~5~-(3-chlorobenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

E761-0001 Screening compound: N~5~-(3-chlorobenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide
E761-0001 Screening compound: N~5~-(3-chlorobenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E761-0001
N~5~-(3-chlorobenzyl)-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

E761-0001

Molecular Formula

C18H15ClN2OS (C18 H15 ClN2 OS)

Compound Name

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

IUPAC name

N-[(3-chlorophenyl)methyl]-9-thia-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene-2-carboxamide

SMILES

O=C(c1cc2c3n1CCSc3ccc2)NCc1cccc(Cl)c1

InChI

InChI=1S/C18H15ClN2OS/c19-14-5-1-3-12(9-14)11-20-18(22)15-10-13-4-2-6-16-17(13)21(15)7-8-23-16/h1-6,9-10H,7-8,11H2,(H,20,22)

InChI Key

HBGJTIAMCRQUGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

4.113

Water Solubility, LogSw

-4.45

Polar Surface Area

24.469

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E761-0001 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E761-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E761-0001?
Check Price and Availability of E761-0001, 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 E761-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E761-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E761-0001
  • 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 E761-0001 available by request