8012-0254 Screening compound: methyl 2-{2'-amino-3'-cyano-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-1-yl}acetate

8012-0254 Screening compound: methyl 2-{2'-amino-3'-cyano-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-1-yl}acetate
8012-0254 Screening compound: methyl 2-{2'-amino-3'-cyano-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0254
methyl 2-{2'-amino-3'-cyano-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-1-yl}acetate

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

8012-0254

Molecular Formula

C20H15N3O6 (C20 H15 N3 O6)

Compound Name

methyl 2-{2'-amino-3'-cyano-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-1-yl}acetate

IUPAC name

methyl 2-{2'-amino-3'-cyano-7'-methyl-25'-dioxo-12-dihydro-5'H-spiro[indole-34'-pyrano[32-c]pyran]-1-yl}acetate

SMILES

CC(O1)=CC(OC(N)=C(C2(c(cccc3)c3N3CC(OC)=O)C3=O)C#N)=C2C1=O

InChI

InChI=1S/C20H15N3O6/c1-10-7-14-16(18(25)28-10)20(12(8-21)17(22)29-14)11-5-3-4-6-13(11)23(19(20)26)9-15(24)27-2/h3-7H,9,22H2,1-2H3/t20-/m1/s1

InChI Key

JUAOZELYSGPETN-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03035576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.761

Distribution Coefficient, logD

0.761

Water Solubility, LogSw

-2.10

Polar Surface Area

105.208

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8012-0254 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0254?
Check Price and Availability of 8012-0254, 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 8012-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0254
  • 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 8012-0254 available by request