8013-1005 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-(piperidine-1-sulfonyl)benzamide

8013-1005 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-(piperidine-1-sulfonyl)benzamide
8013-1005 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-(piperidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1005
N-[2-(1H-indol-3-yl)ethyl]-4-(piperidine-1-sulfonyl)benzamide

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

8013-1005

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-4-(piperidine-1-sulfonyl)benzamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-4-(piperidine-1-sulfonyl)benzamide

SMILES

O=C(c(cc1)ccc1S(N1CCCCC1)(=O)=O)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C22H25N3O3S/c26-22(23-13-12-18-16-24-21-7-3-2-6-20(18)21)17-8-10-19(11-9-17)29(27,28)25-14-4-1-5-15-25/h2-3,6-11,16,24H,1,4-5,12-15H2,(H,23,26)

InChI Key

BBUHEYWAPWIIKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-3.46

Polar Surface Area

66.075

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8013-1005 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1005?
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What is the minimum amount of 8013-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1005
  • 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 8013-1005 available by request