C730-0284 Screening compound: 1-(2-methyl-1H-indol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-1,2-ethanedione

C730-0284 Screening compound: 1-(2-methyl-1H-indol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-1,2-ethanedione
C730-0284 Screening compound: 1-(2-methyl-1H-indol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-1,2-ethanedione alternative view

Chemical Structure Depiction of ChemDiv screening compound C730-0284
1-(2-methyl-1H-indol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-1,2-ethanedione

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

C730-0284

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

1-(2-methyl-1H-indol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-1,2-ethanedione

IUPAC name

1-(2-methyl-1H-indol-3-yl)-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}ethane-12-dione

SMILES

Cc1c(C(C(N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C22H21N3O3/c1-13-20(16-5-2-3-6-17(16)23-13)21(27)22(28)24-10-14-9-15(12-24)18-7-4-8-19(26)25(18)11-14/h2-8,14-15,23H,9-12H2,1H3

InChI Key

IPXRVLDQMQZGFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05714546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.19

Polar Surface Area

56.250

Acid Dissociation Constant (pKa)

15.19

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

C730-0284 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C730-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C730-0284?
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What is the minimum amount of C730-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C730-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C730-0284
  • 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 C730-0284 available by request