F052-0842 Screening compound: N-(3-fluorophenyl)-6-(pyrrolidine-1-sulfonyl)quinolin-2-amine

F052-0842 Screening compound: N-(3-fluorophenyl)-6-(pyrrolidine-1-sulfonyl)quinolin-2-amine
F052-0842 Screening compound: N-(3-fluorophenyl)-6-(pyrrolidine-1-sulfonyl)quinolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F052-0842
N-(3-fluorophenyl)-6-(pyrrolidine-1-sulfonyl)quinolin-2-amine

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

F052-0842

Molecular Formula

C19H18FN3O2S (C19 H18 FN3 O2 S)

Compound Name

N-(3-fluorophenyl)-6-(pyrrolidine-1-sulfonyl)quinolin-2-amine

IUPAC name

N-(3-fluorophenyl)-6-(pyrrolidine-1-sulfonyl)quinolin-2-amine

SMILES

O=S(c1cc2ccc(Nc3cc(F)ccc3)nc2cc1)(N1CCCC1)=O

InChI

InChI=1S/C19H18FN3O2S/c20-15-4-3-5-16(13-15)21-19-9-6-14-12-17(7-8-18(14)22-19)26(24,25)23-10-1-2-11-23/h3-9,12-13H,1-2,10-11H2,(H,21,22)

InChI Key

ODOMPZVYXPNUNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.32

Polar Surface Area

50.126

Acid Dissociation Constant (pKa)

18.18

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

F052-0842 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F052-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F052-0842?
Check Price and Availability of F052-0842, 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 F052-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F052-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F052-0842
  • 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 F052-0842 available by request