P091-0399 Screening compound: 3-(1-ETHYL-1H-INDOL-5-YL)-N1-[2-(2-METHYLPIPERIDINO)ETHYL]PROPANAMIDE

P091-0399 Screening compound: 3-(1-ETHYL-1H-INDOL-5-YL)-N1-[2-(2-METHYLPIPERIDINO)ETHYL]PROPANAMIDE
P091-0399 Screening compound: 3-(1-ETHYL-1H-INDOL-5-YL)-N1-[2-(2-METHYLPIPERIDINO)ETHYL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P091-0399
3-(1-ETHYL-1H-INDOL-5-YL)-N1-[2-(2-METHYLPIPERIDINO)ETHYL]PROPANAMIDE

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

P091-0399

Molecular Formula

C21H31N3O (C21 H31 N3 O)

Compound Name

3-(1-ETHYL-1H-INDOL-5-YL)-N1-[2-(2-METHYLPIPERIDINO)ETHYL]PROPANAMIDE

IUPAC name

n/a

SMILES

CCn(cc1)c2c1cc(CCC(NCCN1C(C)CCCC1)=O)cc2

InChI

InChI=1S/C21H31N3O/c1-3-23-14-11-19-16-18(7-9-20(19)23)8-10-21(25)22-12-15-24-13-5-4-6-17(24)2/h7,9,11,14,16-17H,3-6,8,10,12-13,15H2,1-2H3,(H,22,25)/t17-/m0/s1

InChI Key

QVWONPIWPFWABY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27563830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.804

Distribution Coefficient, logD

0.831

Water Solubility, LogSw

-3.16

Polar Surface Area

29.548

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

P091-0399 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P091-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P091-0399?
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What is the minimum amount of P091-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P091-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P091-0399
  • 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 P091-0399 available by request