8017-6886 Screening compound: 2'-amino-1-(2-fluorobenzyl)-6'-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile

8017-6886 Screening compound: 2'-amino-1-(2-fluorobenzyl)-6'-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
8017-6886 Screening compound: 2'-amino-1-(2-fluorobenzyl)-6'-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6886
2'-amino-1-(2-fluorobenzyl)-6'-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]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

8017-6886

Molecular Formula

C28H19FN4O3 (C28 H19 FN4 O3)

Compound Name

2'-amino-1-(2-fluorobenzyl)-6'-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile

IUPAC name

2'-amino-1-[(2-fluorophenyl)methyl]-6'-methyl-25'-dioxo-125'6'-tetrahydrospiro[indole-34'-pyrano[32-c]quinoline]-3'-carbonitrile

SMILES

CN(c(cccc1)c1C1=C2C(c(cccc3)c3N3Cc(cccc4)c4F)(C3=O)C(C#N)=C(N)O1)C2=O

InChI

InChI=1S/C28H19FN4O3/c1-32-21-12-6-3-9-17(21)24-23(26(32)34)28(19(14-30)25(31)36-24)18-10-4-7-13-22(18)33(27(28)35)15-16-8-2-5-11-20(16)29/h2-13H,15,31H2,1H3/t28-/m1/s1

InChI Key

CYORFSRGGRKACA-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD06617418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-3.90

Polar Surface Area

77.387

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.71

8017-6886 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-6886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6886?
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What is the minimum amount of 8017-6886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6886
  • 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 8017-6886 available by request