Y041-1004 Screening compound: N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(1H-pyrrol-1-yl)benzamide

Y041-1004 Screening compound: N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(1H-pyrrol-1-yl)benzamide
Y041-1004 Screening compound: N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(1H-pyrrol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1004
N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(1H-pyrrol-1-yl)benzamide

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

Y041-1004

Molecular Formula

C23H24FN3O (C23 H24 FN3 O)

Compound Name

N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(1H-pyrrol-1-yl)benzamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(1H-pyrrol-1-yl)benzamide

SMILES

O=C(c(cc(cc1)F)c1-n1cccc1)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C23H24FN3O/c24-19-8-9-22(27-12-4-5-13-27)21(16-19)23(28)25-20-10-14-26(15-11-20)17-18-6-2-1-3-7-18/h1-9,12-13,16,20H,10-11,14-15,17H2,(H,25,28)

InChI Key

QNPPLGRZHSIERW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12218345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

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

4.158

Distribution Coefficient, logD

2.712

Water Solubility, LogSw

-4.19

Polar Surface Area

31.602

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

Y041-1004 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1004?
Check Price and Availability of Y041-1004, 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 Y041-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1004
  • 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 Y041-1004 available by request