D103-2249 Screening compound: N-[(4-methylphenyl)methyl]-4-oxo-4H-chromene-2-carboxamide

D103-2249 Screening compound: N-[(4-methylphenyl)methyl]-4-oxo-4H-chromene-2-carboxamide
D103-2249 Screening compound: N-[(4-methylphenyl)methyl]-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-2249
N-[(4-methylphenyl)methyl]-4-oxo-4H-chromene-2-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

D103-2249

Molecular Formula

C18H15NO3 (C18 H15 NO3)

Compound Name

N-[(4-methylphenyl)methyl]-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-4-oxo-4H-chromene-2-carboxamide

SMILES

Cc1ccc(CNC(C(Oc2c3cccc2)=CC3=O)=O)cc1

InChI

InChI=1S/C18H15NO3/c1-12-6-8-13(9-7-12)11-19-18(21)17-10-15(20)14-4-2-3-5-16(14)22-17/h2-10H,11H2,1H3,(H,19,21)

InChI Key

RCYNMJGBRCPBPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08261751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.186

Distribution Coefficient, logD

3.186

Water Solubility, LogSw

-3.75

Polar Surface Area

46.470

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D103-2249 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 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
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D103-2249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-2249?
Check Price and Availability of D103-2249, 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 D103-2249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-2249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-2249
  • 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 D103-2249 available by request