E761-0104 Screening compound: N~5~-(4-fluorobenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

E761-0104 Screening compound: N~5~-(4-fluorobenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide
E761-0104 Screening compound: N~5~-(4-fluorobenzyl)-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E761-0104
N~5~-(4-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

E761-0104

Molecular Formula

C18H15FN2OS (C18 H15 FN2 OS)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)methyl]-9-thia-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene-2-carboxamide

SMILES

O=C(c1cc2cccc3c2n1CCS3)NCc(cc1)ccc1F

InChI

InChI=1S/C18H15FN2OS/c19-14-6-4-12(5-7-14)11-20-18(22)15-10-13-2-1-3-16-17(13)21(15)8-9-23-16/h1-7,10H,8-9,11H2,(H,20,22)

InChI Key

RFBUZRKCKNCAKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917085

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

3.444

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.70

Polar Surface Area

24.469

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E761-0104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with E761-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E761-0104?
Check Price and Availability of E761-0104, 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 E761-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E761-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E761-0104
  • 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 E761-0104 available by request