M576-0442 Screening compound: 1-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]-4-propylpiperazine

M576-0442 Screening compound: 1-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]-4-propylpiperazine
M576-0442 Screening compound: 1-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]-4-propylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M576-0442
1-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]-4-propylpiperazine

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

M576-0442

Molecular Formula

C20H26FN3O (C20 H26 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CC1)CCN1C(c1cc(-c(cc2)ccc2F)cn1CC)=O

InChI

InChI=1S/C20H26FN3O/c1-3-9-22-10-12-24(13-11-22)20(25)19-14-17(15-23(19)4-2)16-5-7-18(21)8-6-16/h5-8,14-15H,3-4,9-13H2,1-2H3

InChI Key

TZEVSQQYHBWTKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.372

Distribution Coefficient, logD

3.189

Water Solubility, LogSw

-3.39

Polar Surface Area

21.884

Acid Dissociation Constant (pKa)

27.99

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

M576-0442 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Nucleic Acid Ligands (8311 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with M576-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M576-0442?
Check Price and Availability of M576-0442, 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 M576-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M576-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M576-0442
  • 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 M576-0442 available by request