C769-0004 Screening compound: 3-(PHENYLSULFONYL)-4-PIPERIDINOQUINOLINE

C769-0004 Screening compound: 3-(PHENYLSULFONYL)-4-PIPERIDINOQUINOLINE
C769-0004 Screening compound: 3-(PHENYLSULFONYL)-4-PIPERIDINOQUINOLINE alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0004
3-(PHENYLSULFONYL)-4-PIPERIDINOQUINOLINE

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

C769-0004

Molecular Formula

C20H20N2O2S (C20 H20 N2 O2 S)

Compound Name

3-(PHENYLSULFONYL)-4-PIPERIDINOQUINOLINE

IUPAC name

3-(benzenesulfonyl)-4-(piperidin-1-yl)quinoline

SMILES

O=S(c1ccccc1)(c(cnc1ccccc11)c1N1CCCCC1)=O

InChI

InChI=1S/C20H20N2O2S/c23-25(24,16-9-3-1-4-10-16)19-15-21-18-12-6-5-11-17(18)20(19)22-13-7-2-8-14-22/h1,3-6,9-12,15H,2,7-8,13-14H2

InChI Key

HOQPYNBRMATVAD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.018

Distribution Coefficient, logD

4.018

Water Solubility, LogSw

-4.00

Polar Surface Area

41.442

Acid Dissociation Constant (pKa)

25.70

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C769-0004 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C769-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0004?
Check Price and Availability of C769-0004, 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 C769-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0004
  • 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 C769-0004 available by request