4986-1250 Screening compound: 5-{[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]methyl}furan-2-carboxylic acid

4986-1250 Screening compound: 5-{[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]methyl}furan-2-carboxylic acid
4986-1250 Screening compound: 5-{[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]methyl}furan-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4986-1250
5-{[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]methyl}furan-2-carboxylic acid

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

4986-1250

Molecular Formula

C22H16O6 (C22 H16 O6)

Compound Name

5-{[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]methyl}furan-2-carboxylic acid

IUPAC name

5-{[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]methyl}furan-2-carboxylic acid

SMILES

Cc(c(O1)c(cc2)C(c3ccccc3)=CC1=O)c2OCc1ccc(C(O)=O)o1

InChI

InChI=1S/C22H16O6/c1-13-18(26-12-15-7-9-19(27-15)22(24)25)10-8-16-17(11-20(23)28-21(13)16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,24,25)

InChI Key

KKWJAVLPKUAQOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02114895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

-0.272

Water Solubility, LogSw

-4.14

Polar Surface Area

63.622

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4986-1250 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4986-1250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4986-1250?
Check Price and Availability of 4986-1250, 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 4986-1250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4986-1250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4986-1250
  • 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 4986-1250 available by request