4817-2852 Screening compound: N-{1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-yl}butanamide

4817-2852 Screening compound: N-{1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-yl}butanamide
4817-2852 Screening compound: N-{1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4817-2852
N-{1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-yl}butanamide

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

4817-2852

Molecular Formula

C16H22N2O (C16 H22 N2 O)

Compound Name

N-{1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-yl}butanamide

IUPAC name

N-{1H2H3H5H6H7H8H-cyclopenta[b]quinolin-9-yl}butanamide

SMILES

CCCC(Nc1c(CCCC2)c2nc2c1CCC2)=O

InChI

InChI=1S/C16H22N2O/c1-2-6-15(19)18-16-11-7-3-4-9-13(11)17-14-10-5-8-12(14)16/h2-10H2,1H3,(H,17,18,19)

InChI Key

XNTWTJPFGLIYBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00425104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

-0.107

Water Solubility, LogSw

-3.00

Polar Surface Area

33.817

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

10.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

4817-2852 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4817-2852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4817-2852?
Check Price and Availability of 4817-2852, 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 4817-2852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4817-2852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4817-2852
  • 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 4817-2852 available by request