F052-0789 Screening compound: 1-(4-{[6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]amino}phenyl)ethan-1-one

F052-0789 Screening compound: 1-(4-{[6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]amino}phenyl)ethan-1-one
F052-0789 Screening compound: 1-(4-{[6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]amino}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F052-0789
1-(4-{[6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]amino}phenyl)ethan-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

F052-0789

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

1-(4-{[6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]amino}phenyl)ethan-1-one

IUPAC name

1-(4-{[6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]amino}phenyl)ethan-1-one

SMILES

CC(c(cc1)ccc1Nc1ccc(cc(cc2)S(N3CCCC3)(=O)=O)c2n1)=O

InChI

InChI=1S/C21H21N3O3S/c1-15(25)16-4-7-18(8-5-16)22-21-11-6-17-14-19(9-10-20(17)23-21)28(26,27)24-12-2-3-13-24/h4-11,14H,2-3,12-13H2,1H3,(H,22,23)

InChI Key

GACGKQXEERTIQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.754

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-3.97

Polar Surface Area

63.952

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F052-0789 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F052-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F052-0789?
Check Price and Availability of F052-0789, 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 F052-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F052-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F052-0789
  • 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 F052-0789 available by request