6948-4449 Screening compound: 2-(3-cyclohexanecarbonyl-1H-indol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one

6948-4449 Screening compound: 2-(3-cyclohexanecarbonyl-1H-indol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one
6948-4449 Screening compound: 2-(3-cyclohexanecarbonyl-1H-indol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6948-4449
2-(3-cyclohexanecarbonyl-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

6948-4449

Molecular Formula

C23H30N2O2 (C23 H30 N2 O2)

Compound Name

2-(3-cyclohexanecarbonyl-1H-indol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-(3-cyclohexanecarbonyl-1H-indol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CC1)CCN1C(Cn1c(cccc2)c2c(C(C2CCCCC2)=O)c1)=O

InChI

InChI=1S/C23H30N2O2/c1-17-11-13-24(14-12-17)22(26)16-25-15-20(19-9-5-6-10-21(19)25)23(27)18-7-3-2-4-8-18/h5-6,9-10,15,17-18H,2-4,7-8,11-14,16H2,1H3

InChI Key

KWAFQBBNTOEXED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04378116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

4.396

Water Solubility, LogSw

-4.18

Polar Surface Area

32.022

Acid Dissociation Constant (pKa)

20.03

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

6948-4449 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6948-4449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6948-4449?
Check Price and Availability of 6948-4449, 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 6948-4449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6948-4449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6948-4449
  • 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 6948-4449 available by request