Y041-5224 Screening compound: 2-(2-methyl-1,3-benzothiazole-6-carbonyl)-decahydroisoquinolin-4a-ol

Y041-5224 Screening compound: 2-(2-methyl-1,3-benzothiazole-6-carbonyl)-decahydroisoquinolin-4a-ol
Y041-5224 Screening compound: 2-(2-methyl-1,3-benzothiazole-6-carbonyl)-decahydroisoquinolin-4a-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5224
2-(2-methyl-1,3-benzothiazole-6-carbonyl)-decahydroisoquinolin-4a-ol

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

Y041-5224

Molecular Formula

C18H22N2O2S (C18 H22 N2 O2 S)

Compound Name

2-(2-methyl-1,3-benzothiazole-6-carbonyl)-decahydroisoquinolin-4a-ol

IUPAC name

2-(2-methyl-13-benzothiazole-6-carbonyl)-decahydroisoquinolin-4a-ol

SMILES

Cc1nc(ccc(C(N(CC2)CC(CCCC3)C23O)=O)c2)c2s1

InChI

InChI=1S/C18H22N2O2S/c1-12-19-15-6-5-13(10-16(15)23-12)17(21)20-9-8-18(22)7-3-2-4-14(18)11-20/h5-6,10,14,22H,2-4,7-9,11H2,1H3

InChI Key

UXXSWCQRAMROJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24861412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.782

Distribution Coefficient, logD

2.782

Water Solubility, LogSw

-2.95

Polar Surface Area

41.286

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

Y041-5224 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune 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 Y041-5224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5224?
Check Price and Availability of Y041-5224, 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 Y041-5224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5224
  • 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 Y041-5224 available by request