1712-1547 Screening compound: 4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide

1712-1547 Screening compound: 4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide
1712-1547 Screening compound: 4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1712-1547
4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide

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

1712-1547

Molecular Formula

C20H18N2O4 (C20 H18 N2 O4)

Compound Name

4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide

IUPAC name

4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1-(prop-2-en-1-yl)-12-dihydroquinoline-3-carboxamide

SMILES

COc(cccc1)c1NC(C(C(N(CC=C)c1c2cccc1)=O)=C2O)=O

InChI

InChI=1S/C20H18N2O4/c1-3-12-22-15-10-6-4-8-13(15)18(23)17(20(22)25)19(24)21-14-9-5-7-11-16(14)26-2/h3-11,23H,1,12H2,2H3,(H,21,24)

InChI Key

ZWSGQVWEIZLBHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00616721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.373

Distribution Coefficient, logD

-1.135

Water Solubility, LogSw

-3.01

Polar Surface Area

60.686

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1712-1547 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 1712-1547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1712-1547?
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What is the minimum amount of 1712-1547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1712-1547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1712-1547
  • 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 1712-1547 available by request