G501-0448 Screening compound: N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}thiophene-2-sulfonamide

G501-0448 Screening compound: N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}thiophene-2-sulfonamide
G501-0448 Screening compound: N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G501-0448
N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}thiophene-2-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

G501-0448

Molecular Formula

C23H27N3O2S2 (C23 H27 N3 O2 S2)

Compound Name

N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}thiophene-2-sulfonamide

IUPAC name

N-{2-[4-(dimethylamino)phenyl]-2-(1234-tetrahydroisoquinolin-2-yl)ethyl}thiophene-2-sulfonamide

SMILES

CN(C)c1ccc(C(CNS(c2cccs2)(=O)=O)N(CC2)Cc3c2cccc3)cc1

InChI

InChI=1S/C23H27N3O2S2/c1-25(2)21-11-9-19(10-12-21)22(16-24-30(27,28)23-8-5-15-29-23)26-14-13-18-6-3-4-7-20(18)17-26/h3-12,15,22,24H,13-14,16-17H2,1-2H3/t22-/m0/s1

InChI Key

HOIGUDWWWKWHBM-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD08006044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.14

Polar Surface Area

48.471

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

G501-0448 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G501-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G501-0448?
Check Price and Availability of G501-0448, 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 G501-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G501-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G501-0448
  • 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 G501-0448 available by request