3335-0385 Screening compound: 7-hydroxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)-4H-chromen-4-one

3335-0385 Screening compound: 7-hydroxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)-4H-chromen-4-one
3335-0385 Screening compound: 7-hydroxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0385
7-hydroxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)-4H-chromen-4-one

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

3335-0385

Molecular Formula

C18H13F3O3 (C18 H13 F3 O3)

Compound Name

7-hydroxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

7-hydroxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

Cc(cccc1)c1C1=C(C(F)(F)F)Oc(c(C)c(cc2)O)c2C1=O

InChI

InChI=1S/C18H13F3O3/c1-9-5-3-4-6-11(9)14-15(23)12-7-8-13(22)10(2)16(12)24-17(14)18(19,20)21/h3-8,22H,1-2H3

InChI Key

QFAARRNOSOYPBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01995529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.07

Polar Surface Area

36.510

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3335-0385 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3335-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0385?
Check Price and Availability of 3335-0385, 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 3335-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0385
  • 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 3335-0385 available by request