0099-0260 Screening compound: 3-acetyl-7-(diethylamino)-2H-chromen-2-one

0099-0260 Screening compound: 3-acetyl-7-(diethylamino)-2H-chromen-2-one
0099-0260 Screening compound: 3-acetyl-7-(diethylamino)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0099-0260
3-acetyl-7-(diethylamino)-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

0099-0260

Molecular Formula

C15H17NO3 (C15 H17 NO3)

Compound Name

3-acetyl-7-(diethylamino)-2H-chromen-2-one

IUPAC name

3-acetyl-7-(diethylamino)-2H-chromen-2-one

SMILES

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

InChI

InChI=1S/C15H17NO3/c1-4-16(5-2)12-7-6-11-8-13(10(3)17)15(18)19-14(11)9-12/h6-9H,4-5H2,1-3H3

InChI Key

JQYDECSZBZCKFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00068687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.297

Distribution Coefficient, logD

2.297

Water Solubility, LogSw

-2.84

Polar Surface Area

37.723

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0099-0260 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0099-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0099-0260?
Check Price and Availability of 0099-0260, 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 0099-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0099-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0099-0260
  • 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 0099-0260 available by request