4757-0198 Screening compound: N-(2-bromophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]methanesulfonamide

4757-0198 Screening compound: N-(2-bromophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]methanesulfonamide
4757-0198 Screening compound: N-(2-bromophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4757-0198
N-(2-bromophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]methanesulfonamide

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

4757-0198

Molecular Formula

C18H19BrN2O3S (C18 H19 BrN2 O3 S)

Compound Name

N-(2-bromophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]methanesulfonamide

IUPAC name

N-(2-bromophenyl)-N-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]methanesulfonamide

SMILES

CS(N(CC(N(CC1)Cc2c1cccc2)=O)c(cccc1)c1Br)(=O)=O

InChI

InChI=1S/C18H19BrN2O3S/c1-25(23,24)21(17-9-5-4-8-16(17)19)13-18(22)20-11-10-14-6-2-3-7-15(14)12-20/h2-9H,10-13H2,1H3

InChI Key

UVHQHOQAHOMPAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01968813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.847

Distribution Coefficient, logD

2.847

Water Solubility, LogSw

-3.43

Polar Surface Area

47.310

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4757-0198 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4757-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4757-0198?
Check Price and Availability of 4757-0198, 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 4757-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4757-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4757-0198
  • 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 4757-0198 available by request