C791-0091 Screening compound: N~8~-[3-(2,6-dimethylpiperidino)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

C791-0091 Screening compound: N~8~-[3-(2,6-dimethylpiperidino)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
C791-0091 Screening compound: N~8~-[3-(2,6-dimethylpiperidino)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0091
N~8~-[3-(2,6-dimethylpiperidino)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-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

C791-0091

Molecular Formula

C24H29N3O2S (C24 H29 N3 O2 S)

Compound Name

N~8~-[3-(2,6-dimethylpiperidino)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-[3-(26-dimethylpiperidin-1-yl)propyl]-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide

SMILES

CC1N(CCCNC(c(cc2)cc(N3)c2Sc(cccc2)c2C3=O)=O)C(C)CCC1

InChI

InChI=1S/C24H29N3O2S/c1-16-7-5-8-17(2)27(16)14-6-13-25-23(28)18-11-12-22-20(15-18)26-24(29)19-9-3-4-10-21(19)30-22/h3-4,9-12,15-17H,5-8,13-14H2,1-2H3,(H,25,28)(H,26,29)

InChI Key

FFCZIEWQNHGNQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

0.876

Water Solubility, LogSw

-4.04

Polar Surface Area

51.968

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

10.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

C791-0091 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C791-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0091?
Check Price and Availability of C791-0091, 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 C791-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0091
  • 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 C791-0091 available by request