E761-0238 Screening compound: N~5~-(3-fluorobenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

E761-0238 Screening compound: N~5~-(3-fluorobenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide
E761-0238 Screening compound: N~5~-(3-fluorobenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E761-0238
N~5~-(3-fluorobenzyl)-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

E761-0238

Molecular Formula

C18H15FN2OS (C18 H15 FN2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc2cccc3c2n1CCS3)NCc1cc(F)ccc1

InChI

InChI=1S/C18H15FN2OS/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

CPMJGYDJYKIEEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.39

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

3.579

Distribution Coefficient, logD

3.579

Water Solubility, LogSw

-3.74

Polar Surface Area

24.469

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E761-0238 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E761-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E761-0238?
Check Price and Availability of E761-0238, 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 E761-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E761-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E761-0238
  • 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 E761-0238 available by request