3089-0472 Screening compound: N,N-dimethyl-5-(piperidine-1-sulfonyl)naphthalen-1-amine

3089-0472 Screening compound: N,N-dimethyl-5-(piperidine-1-sulfonyl)naphthalen-1-amine
3089-0472 Screening compound: N,N-dimethyl-5-(piperidine-1-sulfonyl)naphthalen-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3089-0472
N,N-dimethyl-5-(piperidine-1-sulfonyl)naphthalen-1-amine

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

3089-0472

Molecular Formula

C17H22N2O2S (C17 H22 N2 O2 S)

Compound Name

N,N-dimethyl-5-(piperidine-1-sulfonyl)naphthalen-1-amine

IUPAC name

NN-dimethyl-5-(piperidine-1-sulfonyl)naphthalen-1-amine

SMILES

CN(C)c1c(cccc2S(N3CCCCC3)(=O)=O)c2ccc1

InChI

InChI=1S/C17H22N2O2S/c1-18(2)16-10-6-9-15-14(16)8-7-11-17(15)22(20,21)19-12-4-3-5-13-19/h6-11H,3-5,12-13H2,1-2H3

InChI Key

IRHRWFMGWZOGDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00586856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.437

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-3.81

Polar Surface Area

34.182

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

3089-0472 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3089-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3089-0472?
Check Price and Availability of 3089-0472, 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 3089-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3089-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3089-0472
  • 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 3089-0472 available by request