G855-2046 Screening compound: 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-cyclobutanecarbonyl-1,2,3,4-tetrahydroquinoline

G855-2046 Screening compound: 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-cyclobutanecarbonyl-1,2,3,4-tetrahydroquinoline
G855-2046 Screening compound: 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-cyclobutanecarbonyl-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G855-2046
6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-cyclobutanecarbonyl-1,2,3,4-tetrahydroquinoline

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

G855-2046

Molecular Formula

C24H28ClN3O3S (C24 H28 ClN3 O3 S)

Compound Name

6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-cyclobutanecarbonyl-1,2,3,4-tetrahydroquinoline

IUPAC name

6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-cyclobutanecarbonyl-1234-tetrahydroquinoline

SMILES

O=C(C1CCC1)N(CCC1)c(cc2)c1cc2S(N(CC1)CCN1c1cccc(Cl)c1)(=O)=O

InChI

InChI=1S/C24H28ClN3O3S/c25-20-7-2-8-21(17-20)26-12-14-27(15-13-26)32(30,31)22-9-10-23-19(16-22)6-3-11-28(23)24(29)18-4-1-5-18/h2,7-10,16-18H,1,3-6,11-15H2

InChI Key

FMDQINXGYSTPJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.945

Distribution Coefficient, logD

3.945

Water Solubility, LogSw

-4.29

Polar Surface Area

51.046

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

G855-2046 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G855-2046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G855-2046?
Check Price and Availability of G855-2046, 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 G855-2046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G855-2046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G855-2046
  • 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 G855-2046 available by request