8228-0052 Screening compound: 2-[butyl(methyl)amino]-1-(1H-indol-3-yl)ethan-1-one

8228-0052 Screening compound: 2-[butyl(methyl)amino]-1-(1H-indol-3-yl)ethan-1-one
8228-0052 Screening compound: 2-[butyl(methyl)amino]-1-(1H-indol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8228-0052
2-[butyl(methyl)amino]-1-(1H-indol-3-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

8228-0052

Molecular Formula

C15H20N2O (C15 H20 N2 O)

Compound Name

2-[butyl(methyl)amino]-1-(1H-indol-3-yl)ethan-1-one

IUPAC name

2-[butyl(methyl)amino]-1-(1H-indol-3-yl)ethan-1-one

SMILES

CCCCN(C)CC(c1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C15H20N2O/c1-3-4-9-17(2)11-15(18)13-10-16-14-8-6-5-7-12(13)14/h5-8,10,16H,3-4,9,11H2,1-2H3

InChI Key

IJAHTDNUGPKZRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12494103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

1.984

Water Solubility, LogSw

-3.28

Polar Surface Area

27.450

Acid Dissociation Constant (pKa)

16.73

Base Dissociation Constant (pKb)

8.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8228-0052 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 8228-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8228-0052?
Check Price and Availability of 8228-0052, 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 8228-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8228-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8228-0052
  • 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 8228-0052 available by request