C304-0318 Screening compound: 11-ethyl-N~8~-[2-(ethylanilino)ethyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-0318 Screening compound: 11-ethyl-N~8~-[2-(ethylanilino)ethyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-0318 Screening compound: 11-ethyl-N~8~-[2-(ethylanilino)ethyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0318
11-ethyl-N~8~-[2-(ethylanilino)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

C304-0318

Molecular Formula

C26H27N3OS (C26 H27 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

CCC1=Nc(cc(cc2)C(NCCN(CC)c3ccccc3)=O)c2Sc2c1cccc2

InChI

InChI=1S/C26H27N3OS/c1-3-22-21-12-8-9-13-24(21)31-25-15-14-19(18-23(25)28-22)26(30)27-16-17-29(4-2)20-10-6-5-7-11-20/h5-15,18H,3-4,16-17H2,1-2H3,(H,27,30)

InChI Key

SPTOKBUOQDMHKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.384

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.35

Polar Surface Area

35.475

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C304-0318 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C304-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0318?
Check Price and Availability of C304-0318, 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 C304-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0318
  • 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 C304-0318 available by request