5587-0091 Screening compound: 4-[2-amino-3-cyano-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide

5587-0091 Screening compound: 4-[2-amino-3-cyano-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide
5587-0091 Screening compound: 4-[2-amino-3-cyano-4-(2,3-dimethoxyphenyl)-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 5587-0091
4-[2-amino-3-cyano-4-(2,3-dimethoxyphenyl)-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

5587-0091

Molecular Formula

C26H28N4O5S (C26 H28 N4 O5 S)

Compound Name

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

IUPAC name

4-[2-amino-3-cyano-4-(23-dimethoxyphenyl)-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(cccc3OC)c3OC)C#N)=C2C1=O

InChI

InChI=1S/C26H28N4O5S/c1-26(2)12-19-23(20(31)13-26)22(17-6-5-7-21(34-3)24(17)35-4)18(14-27)25(28)30(19)15-8-10-16(11-9-15)36(29,32)33/h5-11,22H,12-13,28H2,1-4H3,(H2,29,32,33)/t22-/m0/s1

InChI Key

PZHGVRVERWNHKI-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03678459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.088

Distribution Coefficient, logD

2.087

Water Solubility, LogSw

-2.64

Polar Surface Area

118.327

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

5587-0091 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 5587-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5587-0091?
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What is the minimum amount of 5587-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5587-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5587-0091
  • 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 5587-0091 available by request