3333-5009 Screening compound: 7-ethoxy-2,8-dimethyl-3-(4-propylphenoxy)-4H-chromen-4-one

3333-5009 Screening compound: 7-ethoxy-2,8-dimethyl-3-(4-propylphenoxy)-4H-chromen-4-one
3333-5009 Screening compound: 7-ethoxy-2,8-dimethyl-3-(4-propylphenoxy)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3333-5009
7-ethoxy-2,8-dimethyl-3-(4-propylphenoxy)-4H-chromen-4-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

3333-5009

Molecular Formula

C22H24O4 (C22 H24 O4)

Compound Name

7-ethoxy-2,8-dimethyl-3-(4-propylphenoxy)-4H-chromen-4-one

IUPAC name

7-ethoxy-28-dimethyl-3-(4-propylphenoxy)-4H-chromen-4-one

SMILES

CCCc(cc1)ccc1OC1=C(C)Oc(c(C)c(cc2)OCC)c2C1=O

InChI

InChI=1S/C22H24O4/c1-5-7-16-8-10-17(11-9-16)26-22-15(4)25-21-14(3)19(24-6-2)13-12-18(21)20(22)23/h8-13H,5-7H2,1-4H3

InChI Key

XDZYBVSWRDSPGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01972331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.808

Distribution Coefficient, logD

5.808

Water Solubility, LogSw

-5.64

Polar Surface Area

34.557

Acid Dissociation Constant (pKa)

26.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

3333-5009 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3333-5009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3333-5009?
Check Price and Availability of 3333-5009, 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 3333-5009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3333-5009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3333-5009
  • 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 3333-5009 available by request