C304-0413 Screening compound: 11-propyl-N~8~-[2-(1-pyrrolidinyl)ethyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-0413 Screening compound: 11-propyl-N~8~-[2-(1-pyrrolidinyl)ethyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-0413 Screening compound: 11-propyl-N~8~-[2-(1-pyrrolidinyl)ethyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0413
11-propyl-N~8~-[2-(1-pyrrolidinyl)ethyl]dibenzo[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

C304-0413

Molecular Formula

C23H27N3OS (C23 H27 N3 OS)

Compound Name

11-propyl-N~8~-[2-(1-pyrrolidinyl)ethyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

10-propyl-N-[2-(pyrrolidin-1-yl)ethyl]-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CCCC1=Nc(cc(cc2)C(NCCN3CCCC3)=O)c2Sc2c1cccc2

InChI

InChI=1S/C23H27N3OS/c1-2-7-19-18-8-3-4-9-21(18)28-22-11-10-17(16-20(22)25-19)23(27)24-12-15-26-13-5-6-14-26/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,24,27)

InChI Key

QUBAIOJUNIQVFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-4.10

Polar Surface Area

36.834

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C304-0413 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C304-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0413?
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What is the minimum amount of C304-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0413
  • 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 C304-0413 available by request