D103-0719 Screening compound: ethyl 4-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)benzoate

D103-0719 Screening compound: ethyl 4-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)benzoate
D103-0719 Screening compound: ethyl 4-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-0719
ethyl 4-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)benzoate

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

D103-0719

Molecular Formula

C21H19NO5 (C21 H19 NO5)

Compound Name

ethyl 4-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)benzoate

IUPAC name

ethyl 4-(78-dimethyl-4-oxo-4H-chromene-2-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(Oc1c2ccc(C)c1C)=CC2=O)=O)=O

InChI

InChI=1S/C21H19NO5/c1-4-26-21(25)14-6-8-15(9-7-14)22-20(24)18-11-17(23)16-10-5-12(2)13(3)19(16)27-18/h5-11H,4H2,1-3H3,(H,22,24)

InChI Key

LDVKUCOYIYOZMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.765

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-4.47

Polar Surface Area

65.586

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D103-0719 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

STING Agonist Library (5895 compounds)

Therapeutical Diversity Annotated Library (7563 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
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D103-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-0719?
Check Price and Availability of D103-0719, 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 D103-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-0719
  • 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 D103-0719 available by request