F052-0657 Screening compound: N-[(2-ethoxyphenyl)methyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-amine

F052-0657 Screening compound: N-[(2-ethoxyphenyl)methyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-amine
F052-0657 Screening compound: N-[(2-ethoxyphenyl)methyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F052-0657
N-[(2-ethoxyphenyl)methyl]-6-[(4-methylpiperidin-1-yl)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

F052-0657

Molecular Formula

C24H29N3O3S (C24 H29 N3 O3 S)

Compound Name

N-[(2-ethoxyphenyl)methyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-amine

IUPAC name

N-[(2-ethoxyphenyl)methyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-amine

SMILES

CCOc1c(CNc2ccc(cc(cc3)S(N4CCC(C)CC4)(=O)=O)c3n2)cccc1

InChI

InChI=1S/C24H29N3O3S/c1-3-30-23-7-5-4-6-20(23)17-25-24-11-8-19-16-21(9-10-22(19)26-24)31(28,29)27-14-12-18(2)13-15-27/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,25,26)

InChI Key

QVVFUUQLOMNXOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.161

Distribution Coefficient, logD

5.161

Water Solubility, LogSw

-5.28

Polar Surface Area

58.292

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F052-0657 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F052-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F052-0657?
Check Price and Availability of F052-0657, 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 F052-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F052-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F052-0657
  • 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 F052-0657 available by request