3409-4041 Screening compound: 2-(3,4-dimethoxyphenyl)-3H-benzo[f]chromen-3-one

3409-4041 Screening compound: 2-(3,4-dimethoxyphenyl)-3H-benzo[f]chromen-3-one
3409-4041 Screening compound: 2-(3,4-dimethoxyphenyl)-3H-benzo[f]chromen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3409-4041
2-(3,4-dimethoxyphenyl)-3H-benzo[f]chromen-3-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

3409-4041

Molecular Formula

C21H16O4 (C21 H16 O4)

Compound Name

2-(3,4-dimethoxyphenyl)-3H-benzo[f]chromen-3-one

IUPAC name

2-(34-dimethoxyphenyl)-3H-benzo[f]chromen-3-one

SMILES

COc(ccc(C1=Cc(c2ccccc2cc2)c2OC1=O)c1)c1OC

InChI

InChI=1S/C21H16O4/c1-23-19-10-8-14(11-20(19)24-2)16-12-17-15-6-4-3-5-13(15)7-9-18(17)25-21(16)22/h3-12H,1-2H3

InChI Key

RTHLUXXSEISSOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

4.043

Water Solubility, LogSw

-4.59

Polar Surface Area

35.878

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

3409-4041 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system

References: we are preparing a list of scientific research reports with 3409-4041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3409-4041?
Check Price and Availability of 3409-4041, 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 3409-4041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3409-4041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3409-4041
  • 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 3409-4041 available by request