V004-8098 Screening compound: 3-methyl-1-{5-[3-(trifluoromethyl)phenyl]thiophene-2-carbonyl}piperidine

V004-8098 Screening compound: 3-methyl-1-{5-[3-(trifluoromethyl)phenyl]thiophene-2-carbonyl}piperidine
V004-8098 Screening compound: 3-methyl-1-{5-[3-(trifluoromethyl)phenyl]thiophene-2-carbonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8098
3-methyl-1-{5-[3-(trifluoromethyl)phenyl]thiophene-2-carbonyl}piperidine

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

V004-8098

Molecular Formula

C18H18F3NOS (C18 H18 F3 NOS)

Compound Name

3-methyl-1-{5-[3-(trifluoromethyl)phenyl]thiophene-2-carbonyl}piperidine

IUPAC name

3-methyl-1-{5-[3-(trifluoromethyl)phenyl]thiophene-2-carbonyl}piperidine

SMILES

CC(CCC1)CN1C(c1ccc(-c2cc(C(F)(F)F)ccc2)s1)=O

InChI

InChI=1S/C18H18F3NOS/c1-12-4-3-9-22(11-12)17(23)16-8-7-15(24-16)13-5-2-6-14(10-13)18(19,20)21/h2,5-8,10,12H,3-4,9,11H2,1H3/t12-/m0/s1

InChI Key

LELRFBWAOWQQRE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD10464311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.433

Distribution Coefficient, logD

5.433

Water Solubility, LogSw

-5.55

Polar Surface Area

17.567

Acid Dissociation Constant (pKa)

25.59

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

V004-8098 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V004-8098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8098?
Check Price and Availability of V004-8098, 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 V004-8098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8098
  • 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 V004-8098 available by request