8015-8181 Screening compound: 2'-amino-1'-(3-fluorophenyl)-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

8015-8181 Screening compound: 2'-amino-1'-(3-fluorophenyl)-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
8015-8181 Screening compound: 2'-amino-1'-(3-fluorophenyl)-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 8015-8181
2'-amino-1'-(3-fluorophenyl)-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

8015-8181

Molecular Formula

C23H17FN4O2 (C23 H17 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

NC(N(C(CCC1)=C(C2(c(cccc3)c3N3)C3=O)C1=O)c1cccc(F)c1)=C2C#N

InChI

InChI=1S/C23H17FN4O2/c24-13-5-3-6-14(11-13)28-18-9-4-10-19(29)20(18)23(16(12-25)21(28)26)15-7-1-2-8-17(15)27-22(23)30/h1-3,5-8,11H,4,9-10,26H2,(H,27,30)/t23-/m1/s1

InChI Key

KOJXDNXALAQDAN-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05258615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.41

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

2.546

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-3.17

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

17.40

8015-8181 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 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:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8015-8181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8181?
Check Price and Availability of 8015-8181, 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 8015-8181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8181
  • 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 8015-8181 available by request