6048-0726 Screening compound: 2-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinoline

6048-0726 Screening compound: 2-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinoline
6048-0726 Screening compound: 2-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0726
2-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinoline

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

6048-0726

Molecular Formula

C25H20F3N3OS (C25 H20 F3 N3 OS)

Compound Name

2-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinoline

IUPAC name

2-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinoline

SMILES

O=C(c1cc(-c2cccs2)nc2ccccc12)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C25H20F3N3OS/c26-25(27,28)17-5-3-6-18(15-17)30-10-12-31(13-11-30)24(32)20-16-22(23-9-4-14-33-23)29-21-8-2-1-7-19(20)21/h1-9,14-16H,10-13H2

InChI Key

HJDDCQJPSZMOSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03395738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.862

Distribution Coefficient, logD

5.862

Water Solubility, LogSw

-6.31

Polar Surface Area

29.225

Acid Dissociation Constant (pKa)

28.27

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6048-0726 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6048-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0726?
Check Price and Availability of 6048-0726, 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 6048-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0726
  • 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 6048-0726 available by request