M576-0449 Screening compound: 1-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]piperidine

M576-0449 Screening compound: 1-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]piperidine
M576-0449 Screening compound: 1-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M576-0449
1-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]piperidine

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

M576-0449

Molecular Formula

C18H21FN2O (C18 H21 FN2 O)

Compound Name

1-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]piperidine

IUPAC name

1-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]piperidine

SMILES

CCn1c(C(N2CCCCC2)=O)cc(-c(cc2)ccc2F)c1

InChI

InChI=1S/C18H21FN2O/c1-2-20-13-15(14-6-8-16(19)9-7-14)12-17(20)18(22)21-10-4-3-5-11-21/h6-9,12-13H,2-5,10-11H2,1H3

InChI Key

WSTXVNFPOKKIEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.742

Water Solubility, LogSw

-3.85

Polar Surface Area

18.094

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

M576-0449 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with M576-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M576-0449?
Check Price and Availability of M576-0449, 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 M576-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M576-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M576-0449
  • 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 M576-0449 available by request