3793-3076 Screening compound: propyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate

3793-3076 Screening compound: propyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate
3793-3076 Screening compound: propyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3076
propyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate

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

3793-3076

Molecular Formula

C23H21F3O6 (C23 H21 F3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCCOC(C(C)Oc(cc1)cc(OC(C(F)(F)F)=C2Oc3cc(C)ccc3)c1C2=O)=O

InChI

InChI=1S/C23H21F3O6/c1-4-10-29-22(28)14(3)30-16-8-9-17-18(12-16)32-21(23(24,25)26)20(19(17)27)31-15-7-5-6-13(2)11-15/h5-9,11-12,14H,4,10H2,1-3H3/t14-/m0/s1

InChI Key

BSYBQKHCXJHFGI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02355963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.382

Distribution Coefficient, logD

5.382

Water Solubility, LogSw

-5.44

Polar Surface Area

55.452

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

3793-3076 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 3793-3076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3076?
Check Price and Availability of 3793-3076, 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 3793-3076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3076
  • 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 3793-3076 available by request