Y042-8026 Screening compound: methyl (3S)-2-(2-chloroacetyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

Y042-8026 Screening compound: methyl (3S)-2-(2-chloroacetyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate
Y042-8026 Screening compound: methyl (3S)-2-(2-chloroacetyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-8026
methyl (3S)-2-(2-chloroacetyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

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

Y042-8026

Molecular Formula

C13H14ClNO3 (C13 H14 ClNO3)

Compound Name

methyl (3S)-2-(2-chloroacetyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

IUPAC name

methyl (3S)-2-(2-chloroacetyl)-1234-tetrahydroisoquinoline-3-carboxylate

SMILES

COC(C(Cc1c(C2)cccc1)N2C(CCl)=O)=O

InChI

InChI=1S/C13H14ClNO3/c1-18-13(17)11-6-9-4-2-3-5-10(9)8-15(11)12(16)7-14/h2-5,11H,6-8H2,1H3/t11-/m0/s1

InChI Key

YOYAEGIJBAENNO-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.955

Distribution Coefficient, logD

1.955

Water Solubility, LogSw

-2.30

Polar Surface Area

37.161

Acid Dissociation Constant (pKa)

20.01

Base Dissociation Constant (pKb)

-6.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

Y042-8026 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Fragments
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 Y042-8026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-8026?
Check Price and Availability of Y042-8026, 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 Y042-8026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-8026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-8026
  • 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 Y042-8026 available by request