8017-2467 Screening compound: 7'-amino-2'-{[(2-fluorophenyl)methyl]sulfanyl}-2,4'-dioxo-1-(prop-2-en-1-yl)-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile

8017-2467 Screening compound: 7'-amino-2'-{[(2-fluorophenyl)methyl]sulfanyl}-2,4'-dioxo-1-(prop-2-en-1-yl)-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile
8017-2467 Screening compound: 7'-amino-2'-{[(2-fluorophenyl)methyl]sulfanyl}-2,4'-dioxo-1-(prop-2-en-1-yl)-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2467
7'-amino-2'-{[(2-fluorophenyl)methyl]sulfanyl}-2,4'-dioxo-1-(prop-2-en-1-yl)-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-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

8017-2467

Molecular Formula

C25H19FN6O2S (C25 H19 FN6 O2 S)

Compound Name

7'-amino-2'-{[(2-fluorophenyl)methyl]sulfanyl}-2,4'-dioxo-1-(prop-2-en-1-yl)-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile

IUPAC name

7'-amino-2'-{[(2-fluorophenyl)methyl]sulfanyl}-24'-dioxo-1-(prop-2-en-1-yl)-124'8'-tetrahydro-3'H-spiro[indole-35'-pyrido[23-d]pyrimidine]-6'-carbonitrile

SMILES

C=CCN(C(C12C(C#N)=C(N)NC(N=C(N3)SCc(cccc4)c4F)=C1C3=O)=O)c1c2cccc1

InChI

InChI=1S/C25H19FN6O2S/c1-2-11-32-18-10-6-4-8-15(18)25(23(32)34)16(12-27)20(28)29-21-19(25)22(33)31-24(30-21)35-13-14-7-3-5-9-17(14)26/h2-10H,1,11,13,28H2,(H2,29,30,31,33)/t25-/m1/s1

InChI Key

UKDDRHUUNXIXKU-RUZDIDTESA-N

MDL Number (MFCD)

MFCD06015271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.749

Distribution Coefficient, logD

2.744

Water Solubility, LogSw

-3.61

Polar Surface Area

98.231

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

8017-2467 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-2467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2467?
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What is the minimum amount of 8017-2467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2467
  • 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 8017-2467 available by request