F052-0051 Screening compound: ethyl 3-{[6-(piperidine-1-sulfonyl)quinolin-2-yl]amino}benzoate

Chemical Structure Depiction of ChemDiv screening compound F052-0051
ethyl 3-{[6-(piperidine-1-sulfonyl)quinolin-2-yl]amino}benzoate

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F052-0051

Molecular Formula

C₂₃H₂₅N₃O₄S (C23 H25 N3 O4 S)

Compound Name

ethyl 3-{[6-(piperidine-1-sulfonyl)quinolin-2-yl]amino}benzoate

IUPAC name

ethyl 3-{[6-(piperidine-1-sulfonyl)quinolin-2-yl]amino}benzoate

SMILES

CCOC(c1cccc(Nc2ccc(cc(cc3)S(N4CCCCC4)(=O)=O)c3n2)c1)=O

InChI

InChI=1S/C23H25N3O4S/c1-2-30-23(27)18-7-6-8-19(15-18)24-22-12-9-17-16-20(10-11-21(17)25-22)31(28,29)26-13-4-3-5-14-26/h6-12,15-16H,2-5,13-14H2,1H3,(H,24,25)

InChI Key

ZXCYVSOVPQVDND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.324

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-5.45

Polar Surface Area

70.513

Acid Dissociation Constant (pK_a)

19.49

Base Dissociation Constant (pK_b)

3.60

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

30.40

F052-0051 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:

References: we are preparing a list of scientific research reports with F052-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F052-0051?
Check Price and Availability of F052-0051, 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 F052-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for F052-0051
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for F052-0051

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 F052-0051 available by request