F052-1059 Screening compound: N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-6-(pyrrolidine-1-sulfonyl)quinolin-2-amine

F052-1059 Screening compound: N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-6-(pyrrolidine-1-sulfonyl)quinolin-2-amine
F052-1059 Screening compound: N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-6-(pyrrolidine-1-sulfonyl)quinolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F052-1059
N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-6-(pyrrolidine-1-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

F052-1059

Molecular Formula

C26H31ClN4O2S (C26 H31 ClN4 O2 S)

Compound Name

N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-6-(pyrrolidine-1-sulfonyl)quinolin-2-amine

IUPAC name

N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-6-(pyrrolidine-1-sulfonyl)quinolin-2-amine

SMILES

O=S(c(cc1cc2)ccc1nc2NCC1CCN(Cc(cc2)ccc2Cl)CC1)(N1CCCC1)=O

InChI

InChI=1S/C26H31ClN4O2S/c27-23-6-3-21(4-7-23)19-30-15-11-20(12-16-30)18-28-26-10-5-22-17-24(8-9-25(22)29-26)34(32,33)31-13-1-2-14-31/h3-10,17,20H,1-2,11-16,18-19H2,(H,28,29)

InChI Key

WFMHQLMIGQNVSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.251

Distribution Coefficient, logD

3.656

Water Solubility, LogSw

-5.93

Polar Surface Area

55.180

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

F052-1059 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with F052-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F052-1059?
Check Price and Availability of F052-1059, 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 F052-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F052-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F052-1059
  • 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 F052-1059 available by request