4790-0230 Screening compound: 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate

4790-0230 Screening compound: 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate
4790-0230 Screening compound: 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4790-0230
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate

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

4790-0230

Molecular Formula

C23H15F3O6 (C23 H15 F3 O6)

Compound Name

3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate

IUPAC name

3-(35-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate

SMILES

Cc1cc(OC2=C(C(F)(F)F)Oc(cc(cc3)OC(c4ccco4)=O)c3C2=O)cc(C)c1

InChI

InChI=1S/C23H15F3O6/c1-12-8-13(2)10-15(9-12)30-20-19(27)16-6-5-14(31-22(28)17-4-3-7-29-17)11-18(16)32-21(20)23(24,25)26/h3-11H,1-2H3

InChI Key

XCBOPQLNPBECAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02352639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.186

Distribution Coefficient, logD

5.186

Water Solubility, LogSw

-5.19

Polar Surface Area

56.571

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4790-0230 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4790-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4790-0230?
Check Price and Availability of 4790-0230, 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 4790-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4790-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4790-0230
  • 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 4790-0230 available by request