8015-0443 Screening compound: N-(4-acetylphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide

8015-0443 Screening compound: N-(4-acetylphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
8015-0443 Screening compound: N-(4-acetylphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0443
N-(4-acetylphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide

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

8015-0443

Molecular Formula

C15H20N2O2S (C15 H20 N2 O2 S)

Compound Name

N-(4-acetylphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide

IUPAC name

N-(4-acetylphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide

SMILES

CC(c(cc1)ccc1NC(N1CC(CO)CCC1)=S)=O

InChI

InChI=1S/C15H20N2O2S/c1-11(19)13-4-6-14(7-5-13)16-15(20)17-8-2-3-12(9-17)10-18/h4-7,12,18H,2-3,8-10H2,1H3,(H,16,20)/t12-/m0/s1

InChI Key

BRIHZIYQJOBQBN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03760530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.054

Distribution Coefficient, logD

2.054

Water Solubility, LogSw

-2.60

Polar Surface Area

42.012

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

8015-0443 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0443?
Check Price and Availability of 8015-0443, 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 8015-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0443
  • 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 8015-0443 available by request