1307-0052 Screening compound: 2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline

1307-0052 Screening compound: 2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
1307-0052 Screening compound: 2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1307-0052
2-(4-methylbenzenesulfonyl)-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

1307-0052

Molecular Formula

C16H17NO2S (C16 H17 NO2 S)

Compound Name

2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(4-methylbenzenesulfonyl)-1234-tetrahydroisoquinoline

SMILES

Cc(cc1)ccc1S(N(CC1)Cc2c1cccc2)(=O)=O

InChI

InChI=1S/C16H17NO2S/c1-13-6-8-16(9-7-13)20(18,19)17-11-10-14-4-2-3-5-15(14)12-17/h2-9H,10-12H2,1H3

InChI Key

ABXZGZXVLBYJDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00666154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.750

Distribution Coefficient, logD

3.750

Water Solubility, LogSw

-3.80

Polar Surface Area

31.611

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1307-0052 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 1307-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1307-0052?
Check Price and Availability of 1307-0052, 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 1307-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1307-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1307-0052
  • 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 1307-0052 available by request