V003-6901 Screening compound: 3-methyl-1-[5-(4-phenoxyphenyl)thiophene-2-carbonyl]piperidine

V003-6901 Screening compound: 3-methyl-1-[5-(4-phenoxyphenyl)thiophene-2-carbonyl]piperidine
V003-6901 Screening compound: 3-methyl-1-[5-(4-phenoxyphenyl)thiophene-2-carbonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6901
3-methyl-1-[5-(4-phenoxyphenyl)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

V003-6901

Molecular Formula

C23H23NO2S (C23 H23 NO2 S)

Compound Name

3-methyl-1-[5-(4-phenoxyphenyl)thiophene-2-carbonyl]piperidine

IUPAC name

3-methyl-1-[5-(4-phenoxyphenyl)thiophene-2-carbonyl]piperidine

SMILES

CC(CCC1)CN1C(c1ccc(-c(cc2)ccc2Oc2ccccc2)s1)=O

InChI

InChI=1S/C23H23NO2S/c1-17-6-5-15-24(16-17)23(25)22-14-13-21(27-22)18-9-11-20(12-10-18)26-19-7-3-2-4-8-19/h2-4,7-14,17H,5-6,15-16H2,1H3/t17-/m0/s1

InChI Key

MRVFSITVMULHSX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19944385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.377

Distribution Coefficient, logD

6.377

Water Solubility, LogSw

-5.60

Polar Surface Area

24.315

Acid Dissociation Constant (pKa)

25.59

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

V003-6901 in Drug Discovery

Included in Screening Libraries

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

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 V003-6901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6901?
Check Price and Availability of V003-6901, 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 V003-6901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6901
  • 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 V003-6901 available by request