5587-0095 Screening compound: 4-[2-amino-4-(2-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide

5587-0095 Screening compound: 4-[2-amino-4-(2-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide
5587-0095 Screening compound: 4-[2-amino-4-(2-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5587-0095
4-[2-amino-4-(2-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-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

5587-0095

Molecular Formula

C24H23ClN4O3S (C24 H23 ClN4 O3 S)

Compound Name

4-[2-amino-4-(2-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide

IUPAC name

4-[2-amino-4-(2-chlorophenyl)-3-cyano-77-dimethyl-5-oxo-145678-hexahydroquinolin-1-yl]benzene-1-sulfonamide

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2S(N)(=O)=O)C(N)=C(C2c(cccc3)c3Cl)C#N)=C2C1=O

InChI

InChI=1S/C24H23ClN4O3S/c1-24(2)11-19-22(20(30)12-24)21(16-5-3-4-6-18(16)25)17(13-26)23(27)29(19)14-7-9-15(10-8-14)33(28,31)32/h3-10,21H,11-12,27H2,1-2H3,(H2,28,31,32)/t21-/m1/s1

InChI Key

MNTMZZJSMRRPAK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03675185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.864

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-3.44

Polar Surface Area

102.980

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5587-0095 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5587-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5587-0095?
Check Price and Availability of 5587-0095, 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 5587-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5587-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5587-0095
  • 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 5587-0095 available by request