D216-0661 Screening compound: 1-[1-(4-methylbenzenesulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroquinoline

D216-0661 Screening compound: 1-[1-(4-methylbenzenesulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroquinoline
D216-0661 Screening compound: 1-[1-(4-methylbenzenesulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0661
1-[1-(4-methylbenzenesulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroquinoline

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

D216-0661

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(N(CCC1)CC1C(N(CCC1)c2c1cccc2)=O)(=O)=O

InChI

InChI=1S/C22H26N2O3S/c1-17-10-12-20(13-11-17)28(26,27)23-14-4-8-19(16-23)22(25)24-15-5-7-18-6-2-3-9-21(18)24/h2-3,6,9-13,19H,4-5,7-8,14-16H2,1H3/t19-/m0/s1

InChI Key

RMUCIMDMVCTIEV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01925613

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

3.786

Distribution Coefficient, logD

3.786

Water Solubility, LogSw

-3.98

Polar Surface Area

47.196

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D216-0661 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D216-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0661?
Check Price and Availability of D216-0661, 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 D216-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0661
  • 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 D216-0661 available by request