8018-3924 Screening compound: 4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide

8018-3924 Screening compound: 4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide
8018-3924 Screening compound: 4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3924
4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide

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

8018-3924

Molecular Formula

C13H17N3O3 (C13 H17 N3 O3)

Compound Name

4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide

IUPAC name

4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carboxamide

SMILES

NC(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O

InChI

InChI=1S/C13H17N3O3/c14-13(17)16-5-3-15(4-6-16)8-10-1-2-11-12(7-10)19-9-18-11/h1-2,7H,3-6,8-9H2,(H2,14,17)

InChI Key

KBLHTYPHIMAJCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.769

Distribution Coefficient, logD

-0.126

Water Solubility, LogSw

-1.68

Polar Surface Area

56.695

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

8018-3924 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-3924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3924?
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What is the minimum amount of 8018-3924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3924
  • 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 8018-3924 available by request