8016-6628 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-6-phenyl-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile

8016-6628 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-6-phenyl-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile
8016-6628 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-6-phenyl-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6628
2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-6-phenyl-4H,5H,6H-pyrano[3,2-c]quinoline-3-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

8016-6628

Molecular Formula

C27H21N3O4 (C27 H21 N3 O4)

Compound Name

2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-6-phenyl-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile

IUPAC name

2-amino-4-(34-dimethoxyphenyl)-5-oxo-6-phenyl-4H5H6H-pyrano[32-c]quinoline-3-carbonitrile

SMILES

COc(ccc(C1C(C#N)=C(N)OC(c(cccc2)c2N2c3ccccc3)=C1C2=O)c1)c1OC

InChI

InChI=1S/C27H21N3O4/c1-32-21-13-12-16(14-22(21)33-2)23-19(15-28)26(29)34-25-18-10-6-7-11-20(18)30(27(31)24(23)25)17-8-4-3-5-9-17/h3-14,23H,29H2,1-2H3/t23-/m1/s1

InChI Key

OQTKFQNQKPYUPV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05858155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

3.243

Water Solubility, LogSw

-3.87

Polar Surface Area

76.530

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

8016-6628 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8016-6628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6628?
Check Price and Availability of 8016-6628, 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 8016-6628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6628
  • 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 8016-6628 available by request