P090-0238 Screening compound: 3-(1-ethyl-1H-indol-4-yl)-1-(4-methylpiperazino)-1-propanone

P090-0238 Screening compound: 3-(1-ethyl-1H-indol-4-yl)-1-(4-methylpiperazino)-1-propanone
P090-0238 Screening compound: 3-(1-ethyl-1H-indol-4-yl)-1-(4-methylpiperazino)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P090-0238
3-(1-ethyl-1H-indol-4-yl)-1-(4-methylpiperazino)-1-propanone

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

P090-0238

Molecular Formula

C18H25N3O (C18 H25 N3 O)

Compound Name

3-(1-ethyl-1H-indol-4-yl)-1-(4-methylpiperazino)-1-propanone

IUPAC name

3-(1-ethyl-1H-indol-4-yl)-1-(4-methylpiperazin-1-yl)propan-1-one

SMILES

CCn1c2cccc(CCC(N3CCN(C)CC3)=O)c2cc1

InChI

InChI=1S/C18H25N3O/c1-3-20-10-9-16-15(5-4-6-17(16)20)7-8-18(22)21-13-11-19(2)12-14-21/h4-6,9-10H,3,7-8,11-14H2,1-2H3

InChI Key

HWWRFFNZWMWESD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.974

Distribution Coefficient, logD

1.727

Water Solubility, LogSw

-2.10

Polar Surface Area

21.671

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P090-0238 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P090-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P090-0238?
Check Price and Availability of P090-0238, 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 P090-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P090-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P090-0238
  • 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 P090-0238 available by request