8004-9558 Screening compound: 6'-amino-5-fluoro-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

8004-9558 Screening compound: 6'-amino-5-fluoro-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
8004-9558 Screening compound: 6'-amino-5-fluoro-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9558
6'-amino-5-fluoro-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-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

8004-9558

Molecular Formula

C21H14FN5O2 (C21 H14 FN5 O2)

Compound Name

6'-amino-5-fluoro-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

IUPAC name

6'-amino-5-fluoro-3'-methyl-2-oxo-1'-phenyl-12-dihydro-1'H-spiro[indole-34'-pyrano[23-c]pyrazole]-5'-carbonitrile

SMILES

Cc(c(C1(c(cc(cc2)F)c2N2)C2=O)c2OC(N)=C1C#N)nn2-c1ccccc1

InChI

InChI=1S/C21H14FN5O2/c1-11-17-19(27(26-11)13-5-3-2-4-6-13)29-18(24)15(10-23)21(17)14-9-12(22)7-8-16(14)25-20(21)28/h2-9H,24H2,1H3,(H,25,28)/t21-/m0/s1

InChI Key

XZNNIOPALKTHKZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00746972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

2.480

Water Solubility, LogSw

-3.24

Polar Surface Area

84.560

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

8004-9558 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8004-9558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9558?
Check Price and Availability of 8004-9558, 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 8004-9558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9558
  • 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 8004-9558 available by request