F052-1336 Screening compound: N-(3-chloro-4-methoxyphenyl)-6-[(2-methylpiperidin-1-yl)sulfonyl]quinolin-2-amine

F052-1336 Screening compound: N-(3-chloro-4-methoxyphenyl)-6-[(2-methylpiperidin-1-yl)sulfonyl]quinolin-2-amine
F052-1336 Screening compound: N-(3-chloro-4-methoxyphenyl)-6-[(2-methylpiperidin-1-yl)sulfonyl]quinolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F052-1336
N-(3-chloro-4-methoxyphenyl)-6-[(2-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

F052-1336

Molecular Formula

C22H24ClN3O3S (C22 H24 ClN3 O3 S)

Compound Name

N-(3-chloro-4-methoxyphenyl)-6-[(2-methylpiperidin-1-yl)sulfonyl]quinolin-2-amine

IUPAC name

N-(3-chloro-4-methoxyphenyl)-6-[(2-methylpiperidin-1-yl)sulfonyl]quinolin-2-amine

SMILES

CC(CCCC1)N1S(c(cc1cc2)ccc1nc2Nc(cc1)cc(Cl)c1OC)(=O)=O

InChI

InChI=1S/C22H24ClN3O3S/c1-15-5-3-4-12-26(15)30(27,28)18-8-9-20-16(13-18)6-11-22(25-20)24-17-7-10-21(29-2)19(23)14-17/h6-11,13-15H,3-5,12H2,1-2H3,(H,24,25)/t15-/m0/s1

InChI Key

KHCKRGTZEKMYGG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27096714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.97

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

5.364

Distribution Coefficient, logD

5.364

Water Solubility, LogSw

-6.03

Polar Surface Area

57.452

Acid Dissociation Constant (pKa)

17.86

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

F052-1336 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F052-1336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F052-1336?
Check Price and Availability of F052-1336, 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 F052-1336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F052-1336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F052-1336
  • 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 F052-1336 available by request