L958-0469 Screening compound: N-(1-benzylpiperidin-4-yl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]acetamide

L958-0469 Screening compound: N-(1-benzylpiperidin-4-yl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]acetamide
L958-0469 Screening compound: N-(1-benzylpiperidin-4-yl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L958-0469
N-(1-benzylpiperidin-4-yl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]acetamide

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

L958-0469

Molecular Formula

C27H28N4OS (C27 H28 N4 OS)

Compound Name

N-(1-benzylpiperidin-4-yl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]acetamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-[2-(4-phenyl-13-thiazol-2-yl)-1H-pyrrol-1-yl]acetamide

SMILES

O=C(Cn1c(-c2nc(-c3ccccc3)cs2)ccc1)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C27H28N4OS/c32-26(28-23-13-16-30(17-14-23)18-21-8-3-1-4-9-21)19-31-15-7-12-25(31)27-29-24(20-33-27)22-10-5-2-6-11-22/h1-12,15,20,23H,13-14,16-19H2,(H,28,32)

InChI Key

SXMKPQHREPQQOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27489906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.249

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-5.33

Polar Surface Area

39.027

Acid Dissociation Constant (pKa)

16.04

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

L958-0469 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L958-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L958-0469?
Check Price and Availability of L958-0469, 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 L958-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L958-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L958-0469
  • 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 L958-0469 available by request