3405-0190 Screening compound: 1-[3-(benzyloxy)benzenecarbothioyl]piperidine

3405-0190 Screening compound: 1-[3-(benzyloxy)benzenecarbothioyl]piperidine
3405-0190 Screening compound: 1-[3-(benzyloxy)benzenecarbothioyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3405-0190
1-[3-(benzyloxy)benzenecarbothioyl]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

3405-0190

Molecular Formula

C19H21NOS (C19 H21 NOS)

Compound Name

1-[3-(benzyloxy)benzenecarbothioyl]piperidine

IUPAC name

1-[3-(benzyloxy)benzenecarbothioyl]piperidine

SMILES

S=C(c1cc(OCc2ccccc2)ccc1)N1CCCCC1

InChI

InChI=1S/C19H21NOS/c22-19(20-12-5-2-6-13-20)17-10-7-11-18(14-17)21-15-16-8-3-1-4-9-16/h1,3-4,7-11,14H,2,5-6,12-13,15H2

InChI Key

QSLVIOOZSJQHCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.894

Distribution Coefficient, logD

4.894

Water Solubility, LogSw

-5.01

Polar Surface Area

9.414

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3405-0190 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3405-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3405-0190?
Check Price and Availability of 3405-0190, 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 3405-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3405-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3405-0190
  • 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 3405-0190 available by request