6948-4537 Screening compound: 2-[3-(furan-2-carbonyl)-1H-indol-1-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one

6948-4537 Screening compound: 2-[3-(furan-2-carbonyl)-1H-indol-1-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one
6948-4537 Screening compound: 2-[3-(furan-2-carbonyl)-1H-indol-1-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6948-4537
2-[3-(furan-2-carbonyl)-1H-indol-1-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one

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

6948-4537

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

2-[3-(furan-2-carbonyl)-1H-indol-1-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-[3-(furan-2-carbonyl)-1H-indol-1-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CC1)CCN1C(Cn1c(cccc2)c2c(C(c2ccco2)=O)c1)=O

InChI

InChI=1S/C21H22N2O3/c1-15-8-10-22(11-9-15)20(24)14-23-13-17(16-5-2-3-6-18(16)23)21(25)19-7-4-12-26-19/h2-7,12-13,15H,8-11,14H2,1H3

InChI Key

DRJZONUWZRGACZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04383207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.113

Distribution Coefficient, logD

3.113

Water Solubility, LogSw

-3.18

Polar Surface Area

40.408

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6948-4537 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6948-4537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6948-4537?
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What is the minimum amount of 6948-4537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6948-4537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6948-4537
  • 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 6948-4537 available by request