4022-0016 Screening compound: 2-(difluoromethyl)-7-methoxy-4H-chromen-4-one

4022-0016 Screening compound: 2-(difluoromethyl)-7-methoxy-4H-chromen-4-one
4022-0016 Screening compound: 2-(difluoromethyl)-7-methoxy-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4022-0016
2-(difluoromethyl)-7-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

4022-0016

Molecular Formula

C11H8F2O3 (C11 H8 F2 O3)

Compound Name

2-(difluoromethyl)-7-methoxy-4H-chromen-4-one

IUPAC name

2-(difluoromethyl)-7-methoxy-4H-chromen-4-one

SMILES

COc(cc1)cc(OC(C(F)F)=C2)c1C2=O

InChI

InChI=1S/C11H8F2O3/c1-15-6-2-3-7-8(14)5-10(11(12)13)16-9(7)4-6/h2-5,11H,1H3

InChI Key

MNXOAJYPPDFAKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02626222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.926

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-2.66

Polar Surface Area

29.601

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

4022-0016 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4022-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4022-0016?
Check Price and Availability of 4022-0016, 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 4022-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4022-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4022-0016
  • 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 4022-0016 available by request