6810-0013 Screening compound: 5-amino-8-(3,4-dimethoxyphenyl)-9-oxo-8H,9H,10H,11H,12H-quinolino[1,2-a]quinazoline-7-carbonitrile

6810-0013 Screening compound: 5-amino-8-(3,4-dimethoxyphenyl)-9-oxo-8H,9H,10H,11H,12H-quinolino[1,2-a]quinazoline-7-carbonitrile
6810-0013 Screening compound: 5-amino-8-(3,4-dimethoxyphenyl)-9-oxo-8H,9H,10H,11H,12H-quinolino[1,2-a]quinazoline-7-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6810-0013
5-amino-8-(3,4-dimethoxyphenyl)-9-oxo-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

6810-0013

Molecular Formula

C25H22N4O3 (C25 H22 N4 O3)

Compound Name

5-amino-8-(3,4-dimethoxyphenyl)-9-oxo-8H,9H,10H,11H,12H-quinolino[1,2-a]quinazoline-7-carbonitrile

IUPAC name

5-amino-8-(34-dimethoxyphenyl)-9-oxo-8H9H10H11H12H-quinolino[12-a]quinazoline-7-carbonitrile

SMILES

COc(ccc(C(C(C(CCC1)=O)=C1N1c2c3cccc2)C(C#N)=C1N=C3N)c1)c1OC

InChI

InChI=1S/C25H22N4O3/c1-31-20-11-10-14(12-21(20)32-2)22-16(13-26)25-28-24(27)15-6-3-4-7-17(15)29(25)18-8-5-9-19(30)23(18)22/h3-4,6-7,10-12,22H,5,8-9H2,1-2H3,(H2,27,28)/t22-/m1/s1

InChI Key

HIWXLCLNOHWBSE-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14712047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

-4.611

Water Solubility, LogSw

-2.94

Polar Surface Area

75.927

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

14.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

6810-0013 in Drug Discovery

Included in Screening Libraries

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
  • 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 6810-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6810-0013?
Check Price and Availability of 6810-0013, 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 6810-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6810-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6810-0013
  • 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 6810-0013 available by request