F052-0046 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(piperidine-1-sulfonyl)quinolin-2-amine

F052-0046 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(piperidine-1-sulfonyl)quinolin-2-amine
F052-0046 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(piperidine-1-sulfonyl)quinolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F052-0046
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(piperidine-1-sulfonyl)quinolin-2-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

F052-0046

Molecular Formula

C24H29N3O4S (C24 H29 N3 O4 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(piperidine-1-sulfonyl)quinolin-2-amine

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-6-(piperidine-1-sulfonyl)quinolin-2-amine

SMILES

COc(ccc(CCNc1ccc(cc(cc2)S(N3CCCCC3)(=O)=O)c2n1)c1)c1OC

InChI

InChI=1S/C24H29N3O4S/c1-30-22-10-6-18(16-23(22)31-2)12-13-25-24-11-7-19-17-20(8-9-21(19)26-24)32(28,29)27-14-4-3-5-15-27/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,25,26)

InChI Key

JXCABPHRFJQEGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.838

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-4.03

Polar Surface Area

66.184

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F052-0046 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F052-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F052-0046?
Check Price and Availability of F052-0046, 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 F052-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F052-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F052-0046
  • 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 F052-0046 available by request