8013-1369 Screening compound: 3'-methyl-5'-(naphthalen-1-yl)-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione

8013-1369 Screening compound: 3'-methyl-5'-(naphthalen-1-yl)-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione
8013-1369 Screening compound: 3'-methyl-5'-(naphthalen-1-yl)-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1369
3'-methyl-5'-(naphthalen-1-yl)-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione

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

8013-1369

Molecular Formula

C24H19N3O3 (C24 H19 N3 O3)

Compound Name

3'-methyl-5'-(naphthalen-1-yl)-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione

IUPAC name

3'-methyl-5'-(naphthalen-1-yl)-123'3'a4'5'6'6'a-octahydro-2'H-spiro[indole-31'-pyrrolo[34-c]pyrrole]-24'6'-trione

SMILES

CC(C(C1C(N2c3cccc4ccccc34)=O)C2=O)NC1(c(cccc1)c1N1)C1=O

InChI

InChI=1S/C24H19N3O3/c1-13-19-20(24(26-13)16-10-4-5-11-17(16)25-23(24)30)22(29)27(21(19)28)18-12-6-8-14-7-2-3-9-15(14)18/h2-13,19-20,26H,1H3,(H,25,30)

InChI Key

HNSNKMPSOKDMRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.750

Distribution Coefficient, logD

2.748

Water Solubility, LogSw

-3.58

Polar Surface Area

66.599

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

20.80

8013-1369 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-1369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1369?
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What is the minimum amount of 8013-1369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1369
  • 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 8013-1369 available by request