8016-0828 Screening compound: 2'-amino-1'-(4-methylphenyl)-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

8016-0828 Screening compound: 2'-amino-1'-(4-methylphenyl)-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
8016-0828 Screening compound: 2'-amino-1'-(4-methylphenyl)-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0828
2'-amino-1'-(4-methylphenyl)-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

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

8016-0828

Molecular Formula

C24H20N4O2 (C24 H20 N4 O2)

Compound Name

2'-amino-1'-(4-methylphenyl)-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

IUPAC name

2'-amino-1'-(4-methylphenyl)-25'-dioxo-125'6'7'8'-hexahydro-1'H-spiro[indole-34'-quinoline]-3'-carbonitrile

SMILES

Cc(cc1)ccc1N(C(CCC1)=C(C2(c(cccc3)c3N3)C3=O)C1=O)C(N)=C2C#N

InChI

InChI=1S/C24H20N4O2/c1-14-9-11-15(12-10-14)28-19-7-4-8-20(29)21(19)24(17(13-25)22(28)26)16-5-2-3-6-18(16)27-23(24)30/h2-3,5-6,9-12H,4,7-8,26H2,1H3,(H,27,30)/t24-/m1/s1

InChI Key

FLCIFRDPWCJAES-XMMPIXPASA-N

MDL Number (MFCD)

MFCD05260099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.70

Polar Surface Area

77.620

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.83

8016-0828 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8016-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0828?
Check Price and Availability of 8016-0828, 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 8016-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0828
  • 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 8016-0828 available by request