8014-0026 Screening compound: (5-methoxy-1,2-dimethyl-1H-indol-3-yl)(4-methylpiperazino)methanone

8014-0026 Screening compound: (5-methoxy-1,2-dimethyl-1H-indol-3-yl)(4-methylpiperazino)methanone
8014-0026 Screening compound: (5-methoxy-1,2-dimethyl-1H-indol-3-yl)(4-methylpiperazino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0026
(5-methoxy-1,2-dimethyl-1H-indol-3-yl)(4-methylpiperazino)methanone

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

8014-0026

Molecular Formula

C17H23N3O2 (C17 H23 N3 O2)

Compound Name

(5-methoxy-1,2-dimethyl-1H-indol-3-yl)(4-methylpiperazino)methanone

IUPAC name

5-methoxy-12-dimethyl-3-(4-methylpiperazine-1-carbonyl)-1H-indole

SMILES

Cc1c(C(N2CCN(C)CC2)=O)c(cc(cc2)OC)c2n1C

InChI

InChI=1S/C17H23N3O2/c1-12-16(17(21)20-9-7-18(2)8-10-20)14-11-13(22-4)5-6-15(14)19(12)3/h5-6,11H,7-10H2,1-4H3

InChI Key

ALDLIVJBCFMRNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01579694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.560

Distribution Coefficient, logD

1.429

Water Solubility, LogSw

-2.00

Polar Surface Area

30.189

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

8014-0026 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8014-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0026?
Check Price and Availability of 8014-0026, 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 8014-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0026
  • 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 8014-0026 available by request