6177-4212 Screening compound: 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide

6177-4212 Screening compound: 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide
6177-4212 Screening compound: 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6177-4212
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-phenylpiperazine-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

6177-4212

Molecular Formula

C19H21N3O3 (C19 H21 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(Nc1ccccc1)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C19H21N3O3/c23-19(20-16-4-2-1-3-5-16)22-10-8-21(9-11-22)13-15-6-7-17-18(12-15)25-14-24-17/h1-7,12H,8-11,13-14H2,(H,20,23)

InChI Key

MFGAZEXFQHHYLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00833169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.458

Distribution Coefficient, logD

1.278

Water Solubility, LogSw

-3.04

Polar Surface Area

46.363

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

6177-4212 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6177-4212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6177-4212?
Check Price and Availability of 6177-4212, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6177-4212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6177-4212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6177-4212
  • 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 6177-4212 available by request