2259-4063 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl propanoate

2259-4063 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl propanoate
2259-4063 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2259-4063
3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl propanoate

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

2259-4063

Molecular Formula

C21H20O4 (C21 H20 O4)

Compound Name

3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl propanoate

IUPAC name

3-benzyl-48-dimethyl-2-oxo-2H-chromen-7-yl propanoate

SMILES

CCC(Oc(cc1)c(C)c(O2)c1C(C)=C(Cc1ccccc1)C2=O)=O

InChI

InChI=1S/C21H20O4/c1-4-19(22)24-18-11-10-16-13(2)17(12-15-8-6-5-7-9-15)21(23)25-20(16)14(18)3/h5-11H,4,12H2,1-3H3

InChI Key

SSELGPCRYBLHJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01533097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

4.609

Water Solubility, LogSw

-4.66

Polar Surface Area

40.714

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

2259-4063 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2259-4063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2259-4063?
Check Price and Availability of 2259-4063, 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 2259-4063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2259-4063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2259-4063
  • 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 2259-4063 available by request