3429-0059 Screening compound: N~1~-[(6-bromo-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)methyl]-1-benzenesulfonamide

3429-0059 Screening compound: N~1~-[(6-bromo-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)methyl]-1-benzenesulfonamide
3429-0059 Screening compound: N~1~-[(6-bromo-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)methyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3429-0059
N~1~-[(6-bromo-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)methyl]-1-benzenesulfonamide

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

3429-0059

Molecular Formula

C22H17BrN2O3S (C22 H17 BrN2 O3 S)

Compound Name

N~1~-[(6-bromo-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)methyl]-1-benzenesulfonamide

IUPAC name

N-[(6-bromo-2-oxo-4-phenyl-12-dihydroquinolin-3-yl)methyl]benzenesulfonamide

SMILES

O=C1Nc(ccc(Br)c2)c2C(c2ccccc2)=C1CNS(c1ccccc1)(=O)=O

InChI

InChI=1S/C22H17BrN2O3S/c23-16-11-12-20-18(13-16)21(15-7-3-1-4-8-15)19(22(26)25-20)14-24-29(27,28)17-9-5-2-6-10-17/h1-13,24H,14H2,(H,25,26)

InChI Key

WXUSDPLEAYBGHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02227401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.955

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.81

Polar Surface Area

66.603

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.55

3429-0059 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3429-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3429-0059?
Check Price and Availability of 3429-0059, 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 3429-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3429-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3429-0059
  • 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 3429-0059 available by request