Y020-1645 Screening compound: 1-acetyl-2'-amino-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-3'-carbonitrile

Y020-1645 Screening compound: 1-acetyl-2'-amino-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-3'-carbonitrile
Y020-1645 Screening compound: 1-acetyl-2'-amino-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-3'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1645
1-acetyl-2'-amino-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-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

Y020-1645

Molecular Formula

C19H13N3O5 (C19 H13 N3 O5)

Compound Name

1-acetyl-2'-amino-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-3'-carbonitrile

IUPAC name

1-acetyl-2'-amino-7'-methyl-25'-dioxo-12-dihydro-5'H-spiro[indole-34'-pyrano[32-c]pyran]-3'-carbonitrile

SMILES

CC(N(C(C12C(C#N)=C(N)OC(C=C(C)O3)=C1C3=O)=O)c1c2cccc1)=O

InChI

InChI=1S/C19H13N3O5/c1-9-7-14-15(17(24)26-9)19(12(8-20)16(21)27-14)11-5-3-4-6-13(11)22(10(2)23)18(19)25/h3-7H,21H2,1-2H3/t19-/m1/s1

InChI Key

AJQQANMDVBMWRE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06592293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.343

Distribution Coefficient, logD

0.343

Water Solubility, LogSw

-2.05

Polar Surface Area

97.681

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

Y020-1645 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Integrin Receptors Targeted library (1715 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y020-1645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1645?
Check Price and Availability of Y020-1645, 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 Y020-1645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1645
  • 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 Y020-1645 available by request