C529-1973 Screening compound: 10-ethyl-N~8~-[2-(ethylanilino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

C529-1973 Screening compound: 10-ethyl-N~8~-[2-(ethylanilino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
C529-1973 Screening compound: 10-ethyl-N~8~-[2-(ethylanilino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C529-1973
10-ethyl-N~8~-[2-(ethylanilino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-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

C529-1973

Molecular Formula

C26H27N3O3S (C26 H27 N3 O3 S)

Compound Name

10-ethyl-N~8~-[2-(ethylanilino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

CCN(CCNC(c(cc1)cc(N(CC)C(c2c3cccc2)=O)c1S3=O)=O)c1ccccc1

InChI

InChI=1S/C26H29N3O3S/c1-3-28(20-10-6-5-7-11-20)17-16-27-25(30)19-14-15-24-22(18-19)29(4-2)26(31)21-12-8-9-13-23(21)33(24)32/h5-15,18H,3-4,16-17,33H2,1-2H3,(H,27,30)

InChI Key

QJTRSPWACIYVFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.200

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.75

Polar Surface Area

58.026

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C529-1973 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C529-1973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C529-1973?
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What is the minimum amount of C529-1973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C529-1973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C529-1973
  • 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 C529-1973 available by request