P088-1115 Screening compound: N4-[2-(azepan-1-yl)ethyl]-N1-(4-methoxyphenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide

P088-1115 Screening compound: N4-[2-(azepan-1-yl)ethyl]-N1-(4-methoxyphenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide
P088-1115 Screening compound: N4-[2-(azepan-1-yl)ethyl]-N1-(4-methoxyphenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P088-1115
N4-[2-(azepan-1-yl)ethyl]-N1-(4-methoxyphenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide

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

P088-1115

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

N4-[2-(azepan-1-yl)ethyl]-N1-(4-methoxyphenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide

IUPAC name

N4-[2-(azepan-1-yl)ethyl]-N1-(4-methoxyphenyl)-23-dihydro-1H-indole-14-dicarboxamide

SMILES

COc(cc1)ccc1NC(N(CC1)c2c1c(C(NCCN1CCCCCC1)=O)ccc2)=O

InChI

InChI=1S/C25H32N4O3/c1-32-20-11-9-19(10-12-20)27-25(31)29-17-13-21-22(7-6-8-23(21)29)24(30)26-14-18-28-15-4-2-3-5-16-28/h6-12H,2-5,13-18H2,1H3,(H,26,30)(H,27,31)

InChI Key

FJXCTAFCVRZIKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

3.055

Water Solubility, LogSw

-4.16

Polar Surface Area

60.850

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

P088-1115 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P088-1115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P088-1115?
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What is the minimum amount of P088-1115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P088-1115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P088-1115
  • 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 P088-1115 available by request