5072-2449 Screening compound: N-cyclohexyl-4-fluoro-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

5072-2449 Screening compound: N-cyclohexyl-4-fluoro-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide
5072-2449 Screening compound: N-cyclohexyl-4-fluoro-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5072-2449
N-cyclohexyl-4-fluoro-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

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

5072-2449

Molecular Formula

C23H27FN2O3S (C23 H27 FN2 O3 S)

Compound Name

N-cyclohexyl-4-fluoro-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

IUPAC name

N-cyclohexyl-4-fluoro-N-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

SMILES

O=C(CN(C1CCCCC1)S(c(cc1)ccc1F)(=O)=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C23H27FN2O3S/c24-20-10-12-22(13-11-20)30(28,29)26(21-8-2-1-3-9-21)17-23(27)25-15-14-18-6-4-5-7-19(18)16-25/h4-7,10-13,21H,1-3,8-9,14-17H2

InChI Key

YTUGHFBFHLJGLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03082810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.18

Polar Surface Area

47.680

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

5072-2449 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 5072-2449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5072-2449?
Check Price and Availability of 5072-2449, 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 5072-2449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5072-2449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5072-2449
  • 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 5072-2449 available by request