Y041-5219 Screening compound: 2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-decahydroisoquinolin-4a-ol

Y041-5219 Screening compound: 2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-decahydroisoquinolin-4a-ol
Y041-5219 Screening compound: 2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-decahydroisoquinolin-4a-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5219
2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-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

Y041-5219

Molecular Formula

C20H23FN2O2S (C20 H23 FN2 O2 S)

Compound Name

2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-decahydroisoquinolin-4a-ol

IUPAC name

2-[2-(3-fluorophenyl)-4-methyl-13-thiazole-5-carbonyl]-decahydroisoquinolin-4a-ol

SMILES

Cc1c(C(N(CC2)CC(CCCC3)C23O)=O)sc(-c2cc(F)ccc2)n1

InChI

InChI=1S/C20H23FN2O2S/c1-13-17(26-18(22-13)14-5-4-7-16(21)11-14)19(24)23-10-9-20(25)8-3-2-6-15(20)12-23/h4-5,7,11,15,25H,2-3,6,8-10,12H2,1H3

InChI Key

ZLVYCEWABNTTIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24860559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.02

Polar Surface Area

42.070

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

Y041-5219 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-5219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5219?
Check Price and Availability of Y041-5219, 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 Y041-5219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5219
  • 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 Y041-5219 available by request