5979-0340 Screening compound: 2-[1-(4-methylbenzenesulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

5979-0340 Screening compound: 2-[1-(4-methylbenzenesulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline
5979-0340 Screening compound: 2-[1-(4-methylbenzenesulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5979-0340
2-[1-(4-methylbenzenesulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

5979-0340

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

2-[1-(4-methylbenzenesulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[1-(4-methylbenzenesulfonyl)piperidine-3-carbonyl]-1234-tetrahydroisoquinoline

SMILES

Cc(cc1)ccc1S(N(CCC1)CC1C(N(CC1)Cc2c1cccc2)=O)(=O)=O

InChI

InChI=1S/C22H26N2O3S/c1-17-8-10-21(11-9-17)28(26,27)24-13-4-7-20(16-24)22(25)23-14-12-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-11,20H,4,7,12-16H2,1H3/t20-/m0/s1

InChI Key

QPNRGLIEFVASHN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03123781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

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

3.515

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.55

Polar Surface Area

48.193

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

5979-0340 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 5979-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5979-0340?
Check Price and Availability of 5979-0340, 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 5979-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5979-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5979-0340
  • 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 5979-0340 available by request