G312-0130 Screening compound: N-[2-oxo-4-(propylamino)-2H-chromen-3-yl]-2H-1,3-benzodioxole-5-carboxamide

G312-0130 Screening compound: N-[2-oxo-4-(propylamino)-2H-chromen-3-yl]-2H-1,3-benzodioxole-5-carboxamide
G312-0130 Screening compound: N-[2-oxo-4-(propylamino)-2H-chromen-3-yl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G312-0130
N-[2-oxo-4-(propylamino)-2H-chromen-3-yl]-2H-1,3-benzodioxole-5-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

G312-0130

Molecular Formula

C20H18N2O5 (C20 H18 N2 O5)

Compound Name

N-[2-oxo-4-(propylamino)-2H-chromen-3-yl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[2-oxo-4-(propylamino)-2H-chromen-3-yl]-2H-13-benzodioxole-5-carboxamide

SMILES

CCCNC(c(cccc1)c1OC1=O)=C1NC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C20H18N2O5/c1-2-9-21-17-13-5-3-4-6-14(13)27-20(24)18(17)22-19(23)12-7-8-15-16(10-12)26-11-25-15/h3-8,10,21H,2,9,11H2,1H3,(H,22,23)

InChI Key

WYPSELZNTNGQEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.699

Distribution Coefficient, logD

2.595

Water Solubility, LogSw

-3.36

Polar Surface Area

72.112

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G312-0130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Adenosine Receptors Targeted Library (19896 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G312-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G312-0130?
Check Price and Availability of G312-0130, 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 G312-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G312-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G312-0130
  • 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 G312-0130 available by request