G017-4200 Screening compound: 4-({4-[3,4-dihydro-2(1H)-isoquinolinylmethyl]piperidino}sulfonyl)-2-thiophenecarboxamide

G017-4200 Screening compound: 4-({4-[3,4-dihydro-2(1H)-isoquinolinylmethyl]piperidino}sulfonyl)-2-thiophenecarboxamide
G017-4200 Screening compound: 4-({4-[3,4-dihydro-2(1H)-isoquinolinylmethyl]piperidino}sulfonyl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G017-4200
4-({4-[3,4-dihydro-2(1H)-isoquinolinylmethyl]piperidino}sulfonyl)-2-thiophenecarboxamide

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

G017-4200

Molecular Formula

C20H25N3O3S2 (C20 H25 N3 O3 S2)

Compound Name

4-({4-[3,4-dihydro-2(1H)-isoquinolinylmethyl]piperidino}sulfonyl)-2-thiophenecarboxamide

IUPAC name

n/a

SMILES

NC(c1cc(S(N2CCC(CN(CC3)Cc4c3cccc4)CC2)(=O)=O)cs1)=O

InChI

InChI=1S/C20H25N3O3S2/c21-20(24)19-11-18(14-27-19)28(25,26)23-9-5-15(6-10-23)12-22-8-7-16-3-1-2-4-17(16)13-22/h1-4,11,14-15H,5-10,12-13H2,(H2,21,24)

InChI Key

HUZCATIBZJSQTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.603

Distribution Coefficient, logD

1.128

Water Solubility, LogSw

-3.04

Polar Surface Area

70.421

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

G017-4200 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G017-4200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G017-4200?
Check Price and Availability of G017-4200, 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 G017-4200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G017-4200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G017-4200
  • 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 G017-4200 available by request