5848-4019 Screening compound: 3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl ethyl carbonate

5848-4019 Screening compound: 3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl ethyl carbonate
5848-4019 Screening compound: 3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl ethyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5848-4019
3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl ethyl 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

5848-4019

Molecular Formula

C19H12ClF3O6 (C19 H12 ClF3 O6)

Compound Name

3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl ethyl carbonate

IUPAC name

3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl ethyl carbonate

SMILES

CCOC(Oc(cc1)cc(OC(C(F)(F)F)=C2Oc(cccc3)c3Cl)c1C2=O)=O

InChI

InChI=1S/C19H12ClF3O6/c1-2-26-18(25)27-10-7-8-11-14(9-10)29-17(19(21,22)23)16(15(11)24)28-13-6-4-3-5-12(13)20/h3-9H,2H2,1H3

InChI Key

JTPJXFDGXHPITH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.75

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

4.297

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.58

Polar Surface Area

56.467

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

5848-4019 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 5848-4019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5848-4019?
Check Price and Availability of 5848-4019, 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 5848-4019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5848-4019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5848-4019
  • 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 5848-4019 available by request