0083-0114 Screening compound: 7-(diethylamino)-3-(hydroxymethyl)-4-methyl-2H-chromen-2-one

0083-0114 Screening compound: 7-(diethylamino)-3-(hydroxymethyl)-4-methyl-2H-chromen-2-one
0083-0114 Screening compound: 7-(diethylamino)-3-(hydroxymethyl)-4-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0083-0114
7-(diethylamino)-3-(hydroxymethyl)-4-methyl-2H-chromen-2-one

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

0083-0114

Molecular Formula

C15H19NO3 (C15 H19 NO3)

Compound Name

7-(diethylamino)-3-(hydroxymethyl)-4-methyl-2H-chromen-2-one

IUPAC name

7-(diethylamino)-3-(hydroxymethyl)-4-methyl-2H-chromen-2-one

SMILES

CCN(CC)c(cc1)cc(O2)c1C(C)=C(CO)C2=O

InChI

InChI=1S/C15H19NO3/c1-4-16(5-2)11-6-7-12-10(3)13(9-17)15(18)19-14(12)8-11/h6-8,17H,4-5,9H2,1-3H3

InChI Key

XGPAGXKXJDKNMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00228056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-2.88

Polar Surface Area

41.011

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

0083-0114 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 0083-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0083-0114?
Check Price and Availability of 0083-0114, 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 0083-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0083-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0083-0114
  • 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 0083-0114 available by request