1891-0005 Screening compound: 1-(4-methoxybenzenecarbothioyl)piperidine

1891-0005 Screening compound: 1-(4-methoxybenzenecarbothioyl)piperidine
1891-0005 Screening compound: 1-(4-methoxybenzenecarbothioyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1891-0005
1-(4-methoxybenzenecarbothioyl)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

1891-0005

Molecular Formula

C13H17NOS (C13 H17 NOS)

Compound Name

1-(4-methoxybenzenecarbothioyl)piperidine

IUPAC name

1-(4-methoxybenzenecarbothioyl)piperidine

SMILES

COc(cc1)ccc1C(N1CCCCC1)=S

InChI

InChI=1S/C13H17NOS/c1-15-12-7-5-11(6-8-12)13(16)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3

InChI Key

CYUHVSHBDSLRNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00023721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.368

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-3.45

Polar Surface Area

9.731

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with 1891-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1891-0005?
Check Price and Availability of 1891-0005, 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 1891-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1891-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1891-0005
  • 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 1891-0005 available by request