F234-0052 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(pyridin-3-yl)-1H-pyrrole-2-carboxamide

F234-0052 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(pyridin-3-yl)-1H-pyrrole-2-carboxamide
F234-0052 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(pyridin-3-yl)-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F234-0052
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(pyridin-3-yl)-1H-pyrrole-2-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

F234-0052

Molecular Formula

C18H15N3O3 (C18 H15 N3 O3)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-(pyridin-3-yl)-1H-pyrrole-2-carboxamide

SMILES

O=C(c1cccn1-c1cnccc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C18H15N3O3/c22-18(15-4-2-8-21(15)14-3-1-7-19-11-14)20-10-13-5-6-16-17(9-13)24-12-23-16/h1-9,11H,10,12H2,(H,20,22)

InChI Key

VGNGHTTYPVDFRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27109221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.34

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

2.714

Distribution Coefficient, logD

2.714

Water Solubility, LogSw

-2.84

Polar Surface Area

53.334

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

F234-0052 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F234-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F234-0052?
Check Price and Availability of F234-0052, 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 F234-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F234-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F234-0052
  • 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 F234-0052 available by request