C769-0022 Screening compound: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-methylquinoline

C769-0022 Screening compound: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-methylquinoline
C769-0022 Screening compound: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-methylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0022
4-(azepan-1-yl)-3-(benzenesulfonyl)-6-methylquinoline

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

C769-0022

Molecular Formula

C22H24N2O2S (C22 H24 N2 O2 S)

Compound Name

4-(azepan-1-yl)-3-(benzenesulfonyl)-6-methylquinoline

IUPAC name

4-(azepan-1-yl)-3-(benzenesulfonyl)-6-methylquinoline

SMILES

Cc(cc12)ccc2ncc(S(c2ccccc2)(=O)=O)c1N1CCCCCC1

InChI

InChI=1S/C22H24N2O2S/c1-17-11-12-20-19(15-17)22(24-13-7-2-3-8-14-24)21(16-23-20)27(25,26)18-9-5-4-6-10-18/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3

InChI Key

HSJNROKWPRXGSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

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

5.161

Distribution Coefficient, logD

5.161

Water Solubility, LogSw

-4.99

Polar Surface Area

41.773

Acid Dissociation Constant (pKa)

26.50

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C769-0022 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C769-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0022?
Check Price and Availability of C769-0022, 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 C769-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0022
  • 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 C769-0022 available by request