P095-0357 Screening compound: 1-(4-butylpiperazin-1-yl)-3-(1-ethyl-1H-indol-6-yl)propan-1-one

P095-0357 Screening compound: 1-(4-butylpiperazin-1-yl)-3-(1-ethyl-1H-indol-6-yl)propan-1-one
P095-0357 Screening compound: 1-(4-butylpiperazin-1-yl)-3-(1-ethyl-1H-indol-6-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P095-0357
1-(4-butylpiperazin-1-yl)-3-(1-ethyl-1H-indol-6-yl)propan-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

P095-0357

Molecular Formula

C21H31N3O (C21 H31 N3 O)

Compound Name

1-(4-butylpiperazin-1-yl)-3-(1-ethyl-1H-indol-6-yl)propan-1-one

IUPAC name

1-(4-butylpiperazin-1-yl)-3-(1-ethyl-1H-indol-6-yl)propan-1-one

SMILES

CCCCN(CC1)CCN1C(CCc1cc(n(CC)cc2)c2cc1)=O

InChI

InChI=1S/C21H31N3O/c1-3-5-11-22-13-15-24(16-14-22)21(25)9-7-18-6-8-19-10-12-23(4-2)20(19)17-18/h6,8,10,12,17H,3-5,7,9,11,13-16H2,1-2H3

InChI Key

XXXRLIYQKMJYLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

3.058

Water Solubility, LogSw

-3.44

Polar Surface Area

21.985

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

7.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

P095-0357 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P095-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P095-0357?
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What is the minimum amount of P095-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P095-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P095-0357
  • 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 P095-0357 available by request