3448-0892 Screening compound: 4,4,4-trifluoro-3-hydroxy-3-phenyl-1-(thiophen-2-yl)butan-1-one

3448-0892 Screening compound: 4,4,4-trifluoro-3-hydroxy-3-phenyl-1-(thiophen-2-yl)butan-1-one
3448-0892 Screening compound: 4,4,4-trifluoro-3-hydroxy-3-phenyl-1-(thiophen-2-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-0892
4,4,4-trifluoro-3-hydroxy-3-phenyl-1-(thiophen-2-yl)butan-1-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

3448-0892

Molecular Formula

C14H11F3O2S (C14 H11 F3 O2 S)

Compound Name

4,4,4-trifluoro-3-hydroxy-3-phenyl-1-(thiophen-2-yl)butan-1-one

IUPAC name

444-trifluoro-3-hydroxy-3-phenyl-1-(thiophen-2-yl)butan-1-one

SMILES

OC(CC(c1cccs1)=O)(C(F)(F)F)c1ccccc1

InChI

InChI=1S/C14H11F3O2S/c15-14(16,17)13(19,10-5-2-1-3-6-10)9-11(18)12-7-4-8-20-12/h1-8,19H,9H2/t13-/m1/s1

InChI Key

DRBLFYFYWKRWMI-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00555384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-3.40

Polar Surface Area

29.768

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

3448-0892 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3448-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-0892?
Check Price and Availability of 3448-0892, 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 3448-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-0892
  • 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 3448-0892 available by request