8015-3074 Screening compound: 1-benzyl-3'-[2-(methylthio)ethyl]-5'-(1-naphthyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

8015-3074 Screening compound: 1-benzyl-3'-[2-(methylthio)ethyl]-5'-(1-naphthyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
8015-3074 Screening compound: 1-benzyl-3'-[2-(methylthio)ethyl]-5'-(1-naphthyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3074
1-benzyl-3'-[2-(methylthio)ethyl]-5'-(1-naphthyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-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

8015-3074

Molecular Formula

C33H29N3O3S (C33 H29 N3 O3 S)

Compound Name

1-benzyl-3'-[2-(methylthio)ethyl]-5'-(1-naphthyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

IUPAC name

1-benzyl-3'-[2-(methylsulfanyl)ethyl]-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

CSCCC(C(C1C(N2c3cccc4ccccc34)=O)C2=O)NC1(c(cccc1)c1N1Cc2ccccc2)C1=O

InChI

InChI=1S/C33H29N3O3S/c1-40-19-18-25-28-29(31(38)36(30(28)37)26-17-9-13-22-12-5-6-14-23(22)26)33(34-25)24-15-7-8-16-27(24)35(32(33)39)20-21-10-3-2-4-11-21/h2-17,25,28-29,34H,18-20H2,1H3

InChI Key

XISMLAMAWBDSCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-5.33

Polar Surface Area

57.431

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

24.24

8015-3074 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8015-3074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3074?
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What is the minimum amount of 8015-3074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3074
  • 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 8015-3074 available by request