L958-0891 Screening compound: 2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]acetamide

L958-0891 Screening compound: 2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]acetamide
L958-0891 Screening compound: 2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L958-0891
2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]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

L958-0891

Molecular Formula

C28H30N4OS (C28 H30 N4 OS)

Compound Name

2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]acetamide

IUPAC name

2-{2-[4-(4-methylphenyl)-13-thiazol-2-yl]-1H-pyrrol-1-yl}-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]acetamide

SMILES

Cc(cc1)ccc1-c1csc(-c2cccn2CC(NCCCN(CC2)Cc3c2cccc3)=O)n1

InChI

InChI=1S/C28H30N4OS/c1-21-9-11-23(12-10-21)25-20-34-28(30-25)26-8-4-16-32(26)19-27(33)29-14-5-15-31-17-13-22-6-2-3-7-24(22)18-31/h2-4,6-12,16,20H,5,13-15,17-19H2,1H3,(H,29,33)

InChI Key

CZGAQXLZFGBWHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27490020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.745

Distribution Coefficient, logD

4.541

Water Solubility, LogSw

-5.39

Polar Surface Area

39.248

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L958-0891 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with L958-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L958-0891?
Check Price and Availability of L958-0891, 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 L958-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L958-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L958-0891
  • 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 L958-0891 available by request