6810-0058 Screening compound: 5-amino-8-(2H-1,3-benzodioxol-5-yl)-9-oxo-11-phenyl-8H,9H,10H,11H,12H-quinolino[1,2-a]quinazoline-7-carbonitrile

6810-0058 Screening compound: 5-amino-8-(2H-1,3-benzodioxol-5-yl)-9-oxo-11-phenyl-8H,9H,10H,11H,12H-quinolino[1,2-a]quinazoline-7-carbonitrile
6810-0058 Screening compound: 5-amino-8-(2H-1,3-benzodioxol-5-yl)-9-oxo-11-phenyl-8H,9H,10H,11H,12H-quinolino[1,2-a]quinazoline-7-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6810-0058
5-amino-8-(2H-1,3-benzodioxol-5-yl)-9-oxo-11-phenyl-8H,9H,10H,11H,12H-quinolino[1,2-a]quinazoline-7-carbonitrile

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

6810-0058

Molecular Formula

C30H22N4O3 (C30 H22 N4 O3)

Compound Name

5-amino-8-(2H-1,3-benzodioxol-5-yl)-9-oxo-11-phenyl-8H,9H,10H,11H,12H-quinolino[1,2-a]quinazoline-7-carbonitrile

IUPAC name

5-amino-8-(2H-13-benzodioxol-5-yl)-9-oxo-11-phenyl-8H9H10H11H12H-quinolino[12-a]quinazoline-7-carbonitrile

SMILES

NC(c(cccc1)c1N1C(CC(C2)c3ccccc3)=C(C3c(cc4)cc5c4OCO5)C2=O)=NC1=C3C#N

InChI

InChI=1S/C30H22N4O3/c31-15-21-27(18-10-11-25-26(14-18)37-16-36-25)28-23(12-19(13-24(28)35)17-6-2-1-3-7-17)34-22-9-5-4-8-20(22)29(32)33-30(21)34/h1-11,14,19,27H,12-13,16H2,(H2,32,33)

InChI Key

MLGCSCNCKPVWNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.471

Distribution Coefficient, logD

-1.926

Water Solubility, LogSw

-4.59

Polar Surface Area

77.510

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

13.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

6810-0058 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

C-Met Library (15277 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 6810-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6810-0058?
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What is the minimum amount of 6810-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6810-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6810-0058
  • 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 6810-0058 available by request