0422-0066 Screening compound: N-(5-bromoquinolin-8-yl)-2,4,6-trimethylbenzene-1-sulfonamide

0422-0066 Screening compound: N-(5-bromoquinolin-8-yl)-2,4,6-trimethylbenzene-1-sulfonamide
0422-0066 Screening compound: N-(5-bromoquinolin-8-yl)-2,4,6-trimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0422-0066
N-(5-bromoquinolin-8-yl)-2,4,6-trimethylbenzene-1-sulfonamide

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

0422-0066

Molecular Formula

C18H17BrN2O2S (C18 H17 BrN2 O2 S)

Compound Name

N-(5-bromoquinolin-8-yl)-2,4,6-trimethylbenzene-1-sulfonamide

IUPAC name

N-(5-bromoquinolin-8-yl)-246-trimethylbenzene-1-sulfonamide

SMILES

Cc(cc1C)cc(C)c1S(Nc(c1ncccc11)ccc1Br)(=O)=O

InChI

InChI=1S/C18H17BrN2O2S/c1-11-9-12(2)18(13(3)10-11)24(22,23)21-16-7-6-15(19)14-5-4-8-20-17(14)16/h4-10,21H,1-3H3

InChI Key

NCGJQVHKJAFDRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00168996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.095

Distribution Coefficient, logD

3.335

Water Solubility, LogSw

-5.10

Polar Surface Area

49.723

Acid Dissociation Constant (pKa)

5.65

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

0422-0066 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Glucocorticoid receptors Library (4806 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0422-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0422-0066?
Check Price and Availability of 0422-0066, 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 0422-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0422-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0422-0066
  • 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 0422-0066 available by request