S425-0042 Screening compound: 4-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1H-indole

S425-0042 Screening compound: 4-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1H-indole
S425-0042 Screening compound: 4-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S425-0042
4-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1H-indole

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

S425-0042

Molecular Formula

C17H22N2O3 (C17 H22 N2 O3)

Compound Name

4-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1H-indole

IUPAC name

4-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1H-indole

SMILES

COCCOC(CC1)CCN1C(c1c(cc[nH]2)c2ccc1)=O

InChI

InChI=1S/C17H22N2O3/c1-21-11-12-22-13-6-9-19(10-7-13)17(20)15-3-2-4-16-14(15)5-8-18-16/h2-5,8,13,18H,6-7,9-12H2,1H3

InChI Key

PCUTWACFEIBBCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.068

Distribution Coefficient, logD

1.068

Water Solubility, LogSw

-2.08

Polar Surface Area

41.942

Acid Dissociation Constant (pKa)

17.81

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

S425-0042 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Proline Kinase Library (2105 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S425-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S425-0042?
Check Price and Availability of S425-0042, 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 S425-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S425-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S425-0042
  • 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 S425-0042 available by request