3335-0378 Screening compound: 3-(4-fluorophenyl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate

3335-0378 Screening compound: 3-(4-fluorophenyl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate
3335-0378 Screening compound: 3-(4-fluorophenyl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0378
3-(4-fluorophenyl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 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

3335-0378

Molecular Formula

C19H12F4O4 (C19 H12 F4 O4)

Compound Name

3-(4-fluorophenyl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate

IUPAC name

3-(4-fluorophenyl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate

SMILES

CC(Oc(cc1)c(C)c(OC(C(F)(F)F)=C2c(cc3)ccc3F)c1C2=O)=O

InChI

InChI=1S/C19H12F4O4/c1-9-14(26-10(2)24)8-7-13-16(25)15(11-3-5-12(20)6-4-11)18(19(21,22)23)27-17(9)13/h3-8H,1-2H3

InChI Key

GTWDRHBJOMEOJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01995522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.227

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.48

Polar Surface Area

40.800

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3335-0378 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3335-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0378?
Check Price and Availability of 3335-0378, 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 3335-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0378
  • 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 3335-0378 available by request