8016-3848 Screening compound: 2-amino-4-(2-chlorophenyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinolin-3-yl cyanide

8016-3848 Screening compound: 2-amino-4-(2-chlorophenyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinolin-3-yl cyanide
8016-3848 Screening compound: 2-amino-4-(2-chlorophenyl)-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 8016-3848
2-amino-4-(2-chlorophenyl)-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

8016-3848

Molecular Formula

C20H14ClN3O2 (C20 H14 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(cccc1)c1C1=C2C(c(cccc3)c3Cl)C(C#N)=C(N)O1)C2=O

InChI

InChI=1S/C20H14ClN3O2/c1-24-15-9-5-3-7-12(15)18-17(20(24)25)16(13(10-22)19(23)26-18)11-6-2-4-8-14(11)21/h2-9,16H,23H2,1H3/t16-/m1/s1

InChI Key

JQCZTSIYXYOOFF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD05855962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.939

Distribution Coefficient, logD

2.939

Water Solubility, LogSw

-3.75

Polar Surface Area

61.918

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 8016-3848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3848?
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What is the minimum amount of 8016-3848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3848
  • 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 8016-3848 available by request