8010-9454 Screening compound: 2-{3'-benzyl-2,4'-dioxo-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazolin]-1-yl}-N,N-diethylacetamide

8010-9454 Screening compound: 2-{3'-benzyl-2,4'-dioxo-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazolin]-1-yl}-N,N-diethylacetamide
8010-9454 Screening compound: 2-{3'-benzyl-2,4'-dioxo-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazolin]-1-yl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9454
2-{3'-benzyl-2,4'-dioxo-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazolin]-1-yl}-N,N-diethylacetamide

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

8010-9454

Molecular Formula

C28H28N4O3 (C28 H28 N4 O3)

Compound Name

2-{3'-benzyl-2,4'-dioxo-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazolin]-1-yl}-N,N-diethylacetamide

IUPAC name

2-{3'-benzyl-24'-dioxo-123'4'-tetrahydro-1'H-spiro[indole-32'-quinazolin]-1-yl}-NN-diethylacetamide

SMILES

CCN(CC)C(CN(C(C1(Nc2c3cccc2)N(Cc2ccccc2)C3=O)=O)c2c1cccc2)=O

InChI

InChI=1S/C28H28N4O3/c1-3-30(4-2)25(33)19-31-24-17-11-9-15-22(24)28(27(31)35)29-23-16-10-8-14-21(23)26(34)32(28)18-20-12-6-5-7-13-20/h5-17,29H,3-4,18-19H2,1-2H3/t28-/m0/s1

InChI Key

GOBDVAUGDXEXKX-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02647407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.23

Polar Surface Area

58.325

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8010-9454 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-9454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9454?
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What is the minimum amount of 8010-9454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9454
  • 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 8010-9454 available by request