8013-1026 Screening compound: 1-[(8-methoxy-5-quinolyl)sulfonyl]-N~4~-(2-methylphenyl)-4-piperidinecarboxamide

8013-1026 Screening compound: 1-[(8-methoxy-5-quinolyl)sulfonyl]-N~4~-(2-methylphenyl)-4-piperidinecarboxamide
8013-1026 Screening compound: 1-[(8-methoxy-5-quinolyl)sulfonyl]-N~4~-(2-methylphenyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1026
1-[(8-methoxy-5-quinolyl)sulfonyl]-N~4~-(2-methylphenyl)-4-piperidinecarboxamide

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

8013-1026

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

1-[(8-methoxy-5-quinolyl)sulfonyl]-N~4~-(2-methylphenyl)-4-piperidinecarboxamide

IUPAC name

1-[(8-methoxyquinolin-5-yl)sulfonyl]-N-(2-methylphenyl)piperidine-4-carboxamide

SMILES

Cc(cccc1)c1NC(C(CC1)CCN1S(c(c1cccnc11)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C23H25N3O4S/c1-16-6-3-4-8-19(16)25-23(27)17-11-14-26(15-12-17)31(28,29)21-10-9-20(30-2)22-18(21)7-5-13-24-22/h3-10,13,17H,11-12,14-15H2,1-2H3,(H,25,27)

InChI Key

FCZPXTFETFVWJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.812

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-3.22

Polar Surface Area

71.506

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

8013-1026 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8013-1026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1026?
Check Price and Availability of 8013-1026, 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 8013-1026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1026
  • 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 8013-1026 available by request