M577-0442 Screening compound: 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]ethan-1-one

M577-0442 Screening compound: 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]ethan-1-one
M577-0442 Screening compound: 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M577-0442
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]ethan-1-one

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

M577-0442

Molecular Formula

C18H21FN2O (C18 H21 FN2 O)

Compound Name

1-(azepan-1-yl)-2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]ethan-1-one

SMILES

O=C(Cc1cccn1-c(cc1)ccc1F)N1CCCCCC1

InChI

InChI=1S/C18H21FN2O/c19-15-7-9-16(10-8-15)21-13-5-6-17(21)14-18(22)20-11-3-1-2-4-12-20/h5-10,13H,1-4,11-12,14H2

InChI Key

JBNGKGIYDZYVJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019097

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

3.699

Distribution Coefficient, logD

3.699

Water Solubility, LogSw

-3.91

Polar Surface Area

19.220

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

M577-0442 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M577-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M577-0442?
Check Price and Availability of M577-0442, 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 M577-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M577-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M577-0442
  • 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 M577-0442 available by request