3931-2068 Screening compound: 3-(2-chlorophenyl)-7-[(4-methylphenyl)methoxy]-4H-chromen-4-one

3931-2068 Screening compound: 3-(2-chlorophenyl)-7-[(4-methylphenyl)methoxy]-4H-chromen-4-one
3931-2068 Screening compound: 3-(2-chlorophenyl)-7-[(4-methylphenyl)methoxy]-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-2068
3-(2-chlorophenyl)-7-[(4-methylphenyl)methoxy]-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

3931-2068

Molecular Formula

C23H17ClO3 (C23 H17 ClO3)

Compound Name

3-(2-chlorophenyl)-7-[(4-methylphenyl)methoxy]-4H-chromen-4-one

IUPAC name

3-(2-chlorophenyl)-7-[(4-methylphenyl)methoxy]-4H-chromen-4-one

SMILES

Cc1ccc(COc(cc2)cc(OC=C3c(cccc4)c4Cl)c2C3=O)cc1

InChI

InChI=1S/C23H17ClO3/c1-15-6-8-16(9-7-15)13-26-17-10-11-19-22(12-17)27-14-20(23(19)25)18-4-2-3-5-21(18)24/h2-12,14H,13H2,1H3

InChI Key

PKRYAIWMSGOHCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02358583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.446

Distribution Coefficient, logD

5.446

Water Solubility, LogSw

-5.86

Polar Surface Area

28.088

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3931-2068 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3931-2068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-2068?
Check Price and Availability of 3931-2068, 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 3931-2068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-2068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-2068
  • 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 3931-2068 available by request