F052-0448 Screening compound: ethyl 1-{6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-yl}piperidine-4-carboxylate

F052-0448 Screening compound: ethyl 1-{6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-yl}piperidine-4-carboxylate
F052-0448 Screening compound: ethyl 1-{6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-yl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F052-0448
ethyl 1-{6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-yl}piperidine-4-carboxylate

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

F052-0448

Molecular Formula

C23H31N3O4S (C23 H31 N3 O4 S)

Compound Name

ethyl 1-{6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-yl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-yl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c1ccc(cc(cc2)S(N3CCC(C)CC3)(=O)=O)c2n1)=O

InChI

InChI=1S/C23H31N3O4S/c1-3-30-23(27)18-10-12-25(13-11-18)22-7-4-19-16-20(5-6-21(19)24-22)31(28,29)26-14-8-17(2)9-15-26/h4-7,16-18H,3,8-15H2,1-2H3

InChI Key

NATOFLQKJPILIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.435

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.36

Polar Surface Area

63.950

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

F052-0448 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F052-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F052-0448?
Check Price and Availability of F052-0448, 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 F052-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F052-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F052-0448
  • 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 F052-0448 available by request