5848-4132 Screening compound: 3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl prop-2-en-1-yl carbonate

5848-4132 Screening compound: 3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl prop-2-en-1-yl carbonate
5848-4132 Screening compound: 3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl prop-2-en-1-yl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5848-4132
3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl prop-2-en-1-yl carbonate

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

5848-4132

Molecular Formula

C22H17F3O6 (C22 H17 F3 O6)

Compound Name

3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl prop-2-en-1-yl carbonate

IUPAC name

3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl prop-2-en-1-yl carbonate

SMILES

CCc(cc1)ccc1OC1=C(C(F)(F)F)Oc(cc(cc2)OC(OCC=C)=O)c2C1=O

InChI

InChI=1S/C22H17F3O6/c1-3-11-28-21(27)30-15-9-10-16-17(12-15)31-20(22(23,24)25)19(18(16)26)29-14-7-5-13(4-2)6-8-14/h3,5-10,12H,1,4,11H2,2H3

InChI Key

UDPKFDDYRJMDMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05742499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.37

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

4.913

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-4.71

Polar Surface Area

56.674

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5848-4132 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5848-4132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5848-4132?
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What is the minimum amount of 5848-4132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5848-4132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5848-4132
  • 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 5848-4132 available by request