6810-0166 Screening compound: 5-amino-11,11-dimethyl-9-oxo-8-(2,4,5-trimethoxyphenyl)-8H,9H,10H,11H,12H-quinolino[1,2-a]quinazoline-7-carbonitrile

6810-0166 Screening compound: 5-amino-11,11-dimethyl-9-oxo-8-(2,4,5-trimethoxyphenyl)-8H,9H,10H,11H,12H-quinolino[1,2-a]quinazoline-7-carbonitrile
6810-0166 Screening compound: 5-amino-11,11-dimethyl-9-oxo-8-(2,4,5-trimethoxyphenyl)-8H,9H,10H,11H,12H-quinolino[1,2-a]quinazoline-7-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6810-0166
5-amino-11,11-dimethyl-9-oxo-8-(2,4,5-trimethoxyphenyl)-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

6810-0166

Molecular Formula

C28H28N4O4 (C28 H28 N4 O4)

Compound Name

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

IUPAC name

5-amino-1111-dimethyl-9-oxo-8-(245-trimethoxyphenyl)-8H9H10H11H12H-quinolino[12-a]quinazoline-7-carbonitrile

SMILES

CC(C)(C1)CC(N(c(cccc2)c2C(N)=N2)C2=C(C2c(cc(c(OC)c3)OC)c3OC)C#N)=C2C1=O

InChI

InChI=1S/C28H28N4O4/c1-28(2)12-19-25(20(33)13-28)24(16-10-22(35-4)23(36-5)11-21(16)34-3)17(14-29)27-31-26(30)15-8-6-7-9-18(15)32(19)27/h6-11,24H,12-13H2,1-5H3,(H2,30,31)/t24-/m1/s1

InChI Key

XHGMTYRVYNLXRM-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14712095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.027

Distribution Coefficient, logD

-2.252

Water Solubility, LogSw

-3.59

Polar Surface Area

83.557

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

12.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

6810-0166 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 6810-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6810-0166?
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What is the minimum amount of 6810-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6810-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6810-0166
  • 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 6810-0166 available by request