8016-7795 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile

8016-7795 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
8016-7795 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7795
2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-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

8016-7795

Molecular Formula

C18H16N2O5 (C18 H16 N2 O5)

Compound Name

2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile

IUPAC name

2-amino-4-(34-dimethoxyphenyl)-7-methyl-5-oxo-4H5H-pyrano[32-c]pyran-3-carbonitrile

SMILES

CC(O1)=CC(OC(N)=C(C2c(cc3)cc(OC)c3OC)C#N)=C2C1=O

InChI

InChI=1S/C18H16N2O5/c1-9-6-14-16(18(21)24-9)15(11(8-19)17(20)25-14)10-4-5-12(22-2)13(7-10)23-3/h4-7,15H,20H2,1-3H3/t15-/m1/s1

InChI Key

XWFJZLMEJWQODW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00543714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.302

Distribution Coefficient, logD

1.302

Water Solubility, LogSw

-1.95

Polar Surface Area

84.150

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8016-7795 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-7795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7795?
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What is the minimum amount of 8016-7795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7795
  • 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 8016-7795 available by request