K601-0174 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide

K601-0174 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide
K601-0174 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K601-0174
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide

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

K601-0174

Molecular Formula

C29H27FN4O (C29 H27 FN4 O)

Compound Name

N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide

IUPAC name

N-(23-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide

SMILES

O=C(c1cc(N(CC2)CCN2c(cc2)ccc2F)nc2ccccc12)Nc1cc(CCC2)c2cc1

InChI

InChI=1S/C29H27FN4O/c30-22-9-12-24(13-10-22)33-14-16-34(17-15-33)28-19-26(25-6-1-2-7-27(25)32-28)29(35)31-23-11-8-20-4-3-5-21(20)18-23/h1-2,6-13,18-19H,3-5,14-17H2,(H,31,35)

InChI Key

WAGRYPVTIBAVQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.680

Distribution Coefficient, logD

6.680

Water Solubility, LogSw

-6.33

Polar Surface Area

38.123

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

K601-0174 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K601-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K601-0174?
Check Price and Availability of K601-0174, 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 K601-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K601-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K601-0174
  • 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 K601-0174 available by request