3793-3066 Screening compound: methyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

3793-3066 Screening compound: methyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
3793-3066 Screening compound: methyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3066
methyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

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

3793-3066

Molecular Formula

C20H15F3O6 (C20 H15 F3 O6)

Compound Name

methyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

IUPAC name

methyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

SMILES

Cc1cccc(OC2=C(C(F)(F)F)Oc(cc(cc3)OCC(OC)=O)c3C2=O)c1

InChI

InChI=1S/C20H15F3O6/c1-11-4-3-5-13(8-11)28-18-17(25)14-7-6-12(27-10-16(24)26-2)9-15(14)29-19(18)20(21,22)23/h3-9H,10H2,1-2H3

InChI Key

YAKGITZXYRKPIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-4.15

Polar Surface Area

55.693

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3793-3066 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 3793-3066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3066?
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What is the minimum amount of 3793-3066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3066
  • 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 3793-3066 available by request