D012-0035 Screening compound: 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylic acid

D012-0035 Screening compound: 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylic acid
D012-0035 Screening compound: 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0035
7-(diethylamino)-2-oxo-2H-chromene-3-carboxylic acid

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

D012-0035

Molecular Formula

C14H15NO4 (C14 H15 NO4)

Compound Name

7-(diethylamino)-2-oxo-2H-chromene-3-carboxylic acid

IUPAC name

7-(diethylamino)-2-oxo-2H-chromene-3-carboxylic acid

SMILES

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

InChI

InChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17)

InChI Key

WHCPTFFIERCDSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00068721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.695

Distribution Coefficient, logD

-1.375

Water Solubility, LogSw

-2.12

Polar Surface Area

52.304

Acid Dissociation Constant (pKa)

4.33

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D012-0035 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Glucocorticoid receptors Library (4806 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • 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 D012-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0035?
Check Price and Availability of D012-0035, 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 D012-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0035
  • 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 D012-0035 available by request