C530-1928 Screening compound: 10-benzyl-N~8~-[2-(1H-indol-3-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

C530-1928 Screening compound: 10-benzyl-N~8~-[2-(1H-indol-3-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
C530-1928 Screening compound: 10-benzyl-N~8~-[2-(1H-indol-3-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C530-1928
10-benzyl-N~8~-[2-(1H-indol-3-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-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

C530-1928

Molecular Formula

C31H25N3O4S (C31 H25 N3 O4 S)

Compound Name

10-benzyl-N~8~-[2-(1H-indol-3-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-benzyl-N-[2-(1H-indol-3-yl)ethyl]-2210-trioxo-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

O=C(c(cc1)cc(N(Cc2ccccc2)C(c2c3cccc2)=O)c1S3(=O)=O)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C31H25N3O4S/c35-30(32-17-16-23-19-33-26-12-6-4-10-24(23)26)22-14-15-29-27(18-22)34(20-21-8-2-1-3-9-21)31(36)25-11-5-7-13-28(25)39(29,37)38/h1-15,18-19,33H,16-17,20H2,(H,32,35)

InChI Key

OTSSPKLIUQBKFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.519

Distribution Coefficient, logD

4.519

Water Solubility, LogSw

-4.38

Polar Surface Area

78.506

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

C530-1928 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C530-1928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C530-1928?
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What is the minimum amount of C530-1928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C530-1928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C530-1928
  • 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 C530-1928 available by request