8009-3878 Screening compound: 7'-amino-1-methyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile

8009-3878 Screening compound: 7'-amino-1-methyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
8009-3878 Screening compound: 7'-amino-1-methyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3878
7'-amino-1-methyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[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

8009-3878

Molecular Formula

C16H11N5O4 (C16 H11 N5 O4)

Compound Name

7'-amino-1-methyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile

IUPAC name

7'-amino-1-methyl-22'4'-trioxo-11'22'3'4'-hexahydrospiro[indole-35'-pyrano[23-d]pyrimidine]-6'-carbonitrile

SMILES

CN(C(C12C(C#N)=C(N)OC(NC(N3)=O)=C1C3=O)=O)c1c2cccc1

InChI

InChI=1S/C16H11N5O4/c1-21-9-5-3-2-4-7(9)16(14(21)23)8(6-17)11(18)25-13-10(16)12(22)19-15(24)20-13/h2-5H,18H2,1H3,(H2,19,20,22,24)/t16-/m1/s1

InChI Key

IVEKRZQGYDMXPE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01571877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.429

Distribution Coefficient, logD

-0.453

Water Solubility, LogSw

-2.18

Polar Surface Area

111.695

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8009-3878 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-3878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3878?
Check Price and Availability of 8009-3878, 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 8009-3878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3878
  • 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 8009-3878 available by request