8016-4503 Screening compound: 2-amino-4-(2-furyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinolin-3-yl cyanide

8016-4503 Screening compound: 2-amino-4-(2-furyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinolin-3-yl cyanide
8016-4503 Screening compound: 2-amino-4-(2-furyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinolin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4503
2-amino-4-(2-furyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinolin-3-yl cyanide

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

8016-4503

Molecular Formula

C18H13N3O3 (C18 H13 N3 O3)

Compound Name

2-amino-4-(2-furyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinolin-3-yl cyanide

IUPAC name

2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H5H6H-pyrano[32-c]quinoline-3-carbonitrile

SMILES

CN(c(cccc1)c1C1=C2C(c3ccco3)C(C#N)=C(N)O1)C2=O

InChI

InChI=1S/C18H13N3O3/c1-21-12-6-3-2-5-10(12)16-15(18(21)22)14(13-7-4-8-23-13)11(9-19)17(20)24-16/h2-8,14H,20H2,1H3/t14-/m0/s1

InChI Key

YEHYITFWIFZXFW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05856484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.410

Distribution Coefficient, logD

1.410

Water Solubility, LogSw

-1.89

Polar Surface Area

70.496

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.11

8016-4503 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-4503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4503?
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What is the minimum amount of 8016-4503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4503
  • 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 8016-4503 available by request