5689-0042 Screening compound: 4',8'-dimethyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline]

5689-0042 Screening compound: 4',8'-dimethyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline]
5689-0042 Screening compound: 4',8'-dimethyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline] alternative view

Chemical Structure Depiction of ChemDiv screening compound 5689-0042
4',8'-dimethyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline]

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

5689-0042

Molecular Formula

C15H21N (C15 H21 N)

Compound Name

4',8'-dimethyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline]

IUPAC name

4'8'-dimethyl-3'4'-dihydro-1'H-spiro[cyclopentane-12'-quinoline]

SMILES

CC1c(cccc2C)c2NC2(CCCC2)C1

InChI

InChI=1S/C15H21N/c1-11-6-5-7-13-12(2)10-15(16-14(11)13)8-3-4-9-15/h5-7,12,16H,3-4,8-10H2,1-2H3/t12-/m1/s1

InChI Key

MWSHMMNSPIRFFL-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01874296

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

215.34

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.73

Polar Surface Area

10.269

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

5689-0042 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5689-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5689-0042?
Check Price and Availability of 5689-0042, 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 5689-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5689-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5689-0042
  • 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 5689-0042 available by request