Y021-0431 Screening compound: 1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione

Y021-0431 Screening compound: 1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione
Y021-0431 Screening compound: 1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0431
1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione

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

Y021-0431

Molecular Formula

C15H11N3O2 (C15 H11 N3 O2)

Compound Name

1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione

IUPAC name

123'4'-tetrahydro-1'H-spiro[indole-32'-quinazoline]-24'-dione

SMILES

O=C(C1(Nc2c3cccc2)NC3=O)Nc2c1cccc2

InChI

InChI=1S/C15H11N3O2/c19-13-9-5-1-3-7-11(9)17-15(18-13)10-6-2-4-8-12(10)16-14(15)20/h1-8,17H,(H,16,20)(H,18,19)/t15-/m0/s1

InChI Key

BMSQIJFIMYFICP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02039553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.765

Distribution Coefficient, logD

1.764

Water Solubility, LogSw

-2.43

Polar Surface Area

62.426

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

Y021-0431 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Agro:
  • Agro
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with Y021-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0431?
Check Price and Availability of Y021-0431, 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 Y021-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0431
  • 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 Y021-0431 available by request