G354-0058 Screening compound: 3-(1H-pyrrol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)-3-(thiophen-2-yl)propan-1-one

G354-0058 Screening compound: 3-(1H-pyrrol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)-3-(thiophen-2-yl)propan-1-one
G354-0058 Screening compound: 3-(1H-pyrrol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)-3-(thiophen-2-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G354-0058
3-(1H-pyrrol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)-3-(thiophen-2-yl)propan-1-one

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

G354-0058

Molecular Formula

C20H20N2OS (C20 H20 N2 OS)

Compound Name

3-(1H-pyrrol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)-3-(thiophen-2-yl)propan-1-one

IUPAC name

3-(1H-pyrrol-1-yl)-1-(1234-tetrahydroquinolin-1-yl)-3-(thiophen-2-yl)propan-1-one

SMILES

O=C(CC(c1cccs1)n1cccc1)N(CCC1)c2c1cccc2

InChI

InChI=1S/C20H20N2OS/c23-20(22-13-5-8-16-7-1-2-9-17(16)22)15-18(19-10-6-14-24-19)21-11-3-4-12-21/h1-4,6-7,9-12,14,18H,5,8,13,15H2/t18-/m0/s1

InChI Key

VMEQTGNWFPGJEA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15000973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.135

Distribution Coefficient, logD

4.135

Water Solubility, LogSw

-4.26

Polar Surface Area

19.565

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G354-0058 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G354-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G354-0058?
Check Price and Availability of G354-0058, 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 G354-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G354-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G354-0058
  • 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 G354-0058 available by request