8013-2440 Screening compound: 1-[(2-methoxy-4,5-dimethylphenyl)sulfonyl]-2-(3-pyridyl)piperidine

8013-2440 Screening compound: 1-[(2-methoxy-4,5-dimethylphenyl)sulfonyl]-2-(3-pyridyl)piperidine
8013-2440 Screening compound: 1-[(2-methoxy-4,5-dimethylphenyl)sulfonyl]-2-(3-pyridyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2440
1-[(2-methoxy-4,5-dimethylphenyl)sulfonyl]-2-(3-pyridyl)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

8013-2440

Molecular Formula

C19H24N2O3S (C19 H24 N2 O3 S)

Compound Name

1-[(2-methoxy-4,5-dimethylphenyl)sulfonyl]-2-(3-pyridyl)piperidine

IUPAC name

3-[1-(2-methoxy-45-dimethylbenzenesulfonyl)piperidin-2-yl]pyridine

SMILES

Cc(c(C)c1)cc(OC)c1S(N(CCCC1)C1c1cnccc1)(=O)=O

InChI

InChI=1S/C19H24N2O3S/c1-14-11-18(24-3)19(12-15(14)2)25(22,23)21-10-5-4-8-17(21)16-7-6-9-20-13-16/h6-7,9,11-13,17H,4-5,8,10H2,1-3H3/t17-/m0/s1

InChI Key

LDIQUBQCZXVWOK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03763950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-3.20

Polar Surface Area

49.297

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

8013-2440 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 8013-2440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2440?
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What is the minimum amount of 8013-2440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2440
  • 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 8013-2440 available by request