8009-9063 Screening compound: 4-[2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide

8009-9063 Screening compound: 4-[2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide
8009-9063 Screening compound: 4-[2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9063
4-[2-amino-3-cyano-4-(4-nitrophenyl)-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

8009-9063

Molecular Formula

C22H19N5O5S (C22 H19 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

NC(N(C(CCC1)=C(C2c(cc3)ccc3[N+]([O-])=O)C1=O)c(cc1)ccc1S(N)(=O)=O)=C2C#N

InChI

InChI=1S/C22H19N5O5S/c23-12-17-20(13-4-6-15(7-5-13)27(29)30)21-18(2-1-3-19(21)28)26(22(17)24)14-8-10-16(11-9-14)33(25,31)32/h4-11,20H,1-3,24H2,(H2,25,31,32)/t20-/m0/s1

InChI Key

ZYWCSDRZSNQBDY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01821043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.353

Distribution Coefficient, logD

1.352

Water Solubility, LogSw

-2.15

Polar Surface Area

136.361

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

8009-9063 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-9063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9063?
Check Price and Availability of 8009-9063, 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 8009-9063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9063
  • 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 8009-9063 available by request