8017-5317 Screening compound: 2-amino-1'-methyl-2',5-dioxo-1-[3-(trifluoromethyl)phenyl]-1',2',5,7-tetrahydro-1H-spiro[furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile

8017-5317 Screening compound: 2-amino-1'-methyl-2',5-dioxo-1-[3-(trifluoromethyl)phenyl]-1',2',5,7-tetrahydro-1H-spiro[furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
8017-5317 Screening compound: 2-amino-1'-methyl-2',5-dioxo-1-[3-(trifluoromethyl)phenyl]-1',2',5,7-tetrahydro-1H-spiro[furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5317
2-amino-1'-methyl-2',5-dioxo-1-[3-(trifluoromethyl)phenyl]-1',2',5,7-tetrahydro-1H-spiro[furo[3,4-b]pyridine-4,3'-indole]-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

8017-5317

Molecular Formula

C23H15F3N4O3 (C23 H15 F3 N4 O3)

Compound Name

2-amino-1'-methyl-2',5-dioxo-1-[3-(trifluoromethyl)phenyl]-1',2',5,7-tetrahydro-1H-spiro[furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile

IUPAC name

2-amino-1'-methyl-2'5-dioxo-1-[3-(trifluoromethyl)phenyl]-1'2'57-tetrahydro-1H-spiro[furo[34-b]pyridine-43'-indole]-3-carbonitrile

SMILES

CN(C(C1(C2=C3COC2=O)C(C#N)=C(N)N3c2cccc(C(F)(F)F)c2)=O)c2c1cccc2

InChI

InChI=1S/C23H15F3N4O3/c1-29-16-8-3-2-7-14(16)22(21(29)32)15(10-27)19(28)30(17-11-33-20(31)18(17)22)13-6-4-5-12(9-13)23(24,25)26/h2-9H,11,28H2,1H3/t22-/m0/s1

InChI Key

AJZLKUBTSVNRNG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06017674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.39

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

2.589

Distribution Coefficient, logD

2.589

Water Solubility, LogSw

-3.32

Polar Surface Area

77.287

Acid Dissociation Constant (pKa)

16.46

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.39

8017-5317 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-5317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5317?
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What is the minimum amount of 8017-5317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5317
  • 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 8017-5317 available by request