Y031-2122 Screening compound: 2-[(2-chlorophenyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline

Y031-2122 Screening compound: 2-[(2-chlorophenyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline
Y031-2122 Screening compound: 2-[(2-chlorophenyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2122
2-[(2-chlorophenyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline

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

Y031-2122

Molecular Formula

C16H16ClNO2S (C16 H16 ClNO2 S)

Compound Name

2-[(2-chlorophenyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[(2-chlorophenyl)methanesulfonyl]-1234-tetrahydroisoquinoline

SMILES

O=S(Cc(cccc1)c1Cl)(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C16H16ClNO2S/c17-16-8-4-3-7-15(16)12-21(19,20)18-10-9-13-5-1-2-6-14(13)11-18/h1-8H,9-12H2

InChI Key

HUTSGDQGZBAVRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.802

Water Solubility, LogSw

-4.14

Polar Surface Area

31.506

Acid Dissociation Constant (pKa)

20.30

Base Dissociation Constant (pKb)

-7.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y031-2122 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y031-2122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2122?
Check Price and Availability of Y031-2122, 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 Y031-2122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2122
  • 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 Y031-2122 available by request