M576-0455 Screening compound: 1-ethyl-4-(4-fluorophenyl)-N-[1-(pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide

M576-0455 Screening compound: 1-ethyl-4-(4-fluorophenyl)-N-[1-(pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
M576-0455 Screening compound: 1-ethyl-4-(4-fluorophenyl)-N-[1-(pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M576-0455
1-ethyl-4-(4-fluorophenyl)-N-[1-(pyridin-3-yl)ethyl]-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

M576-0455

Molecular Formula

C20H20FN3O (C20 H20 FN3 O)

Compound Name

1-ethyl-4-(4-fluorophenyl)-N-[1-(pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide

IUPAC name

1-ethyl-4-(4-fluorophenyl)-N-[1-(pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide

SMILES

CCn1c(C(NC(C)c2cnccc2)=O)cc(-c(cc2)ccc2F)c1

InChI

InChI=1S/C20H20FN3O/c1-3-24-13-17(15-6-8-18(21)9-7-15)11-19(24)20(25)23-14(2)16-5-4-10-22-12-16/h4-14H,3H2,1-2H3,(H,23,25)/t14-/m0/s1

InChI Key

IWUBRZWKQQQTEA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29018968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.322

Distribution Coefficient, logD

3.322

Water Solubility, LogSw

-3.34

Polar Surface Area

34.540

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

M576-0455 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS BBB Library (22607 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with M576-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M576-0455?
Check Price and Availability of M576-0455, 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 M576-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M576-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M576-0455
  • 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 M576-0455 available by request