F052-0534 Screening compound: 3-({6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-yl}amino)benzonitrile

F052-0534 Screening compound: 3-({6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-yl}amino)benzonitrile
F052-0534 Screening compound: 3-({6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-yl}amino)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F052-0534
3-({6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-yl}amino)benzonitrile

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

F052-0534

Molecular Formula

C22H22N4O2S (C22 H22 N4 O2 S)

Compound Name

3-({6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-yl}amino)benzonitrile

IUPAC name

3-({6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-yl}amino)benzonitrile

SMILES

CC(CC1)CCN1S(c1cc2ccc(Nc3cc(C#N)ccc3)nc2cc1)(=O)=O

InChI

InChI=1S/C22H22N4O2S/c1-16-9-11-26(12-10-16)29(27,28)20-6-7-21-18(14-20)5-8-22(25-21)24-19-4-2-3-17(13-19)15-23/h2-8,13-14,16H,9-12H2,1H3,(H,24,25)

InChI Key

KOKGMJKDNBTQFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.877

Distribution Coefficient, logD

4.877

Water Solubility, LogSw

-4.82

Polar Surface Area

66.816

Acid Dissociation Constant (pKa)

18.25

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F052-0534 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F052-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F052-0534?
Check Price and Availability of F052-0534, 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 F052-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F052-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F052-0534
  • 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 F052-0534 available by request