8015-3071 Screening compound: 1,5'-dibenzyl-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

8015-3071 Screening compound: 1,5'-dibenzyl-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
8015-3071 Screening compound: 1,5'-dibenzyl-3'-methyl-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 8015-3071
1,5'-dibenzyl-3'-methyl-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

8015-3071

Molecular Formula

C28H25N3O3 (C28 H25 N3 O3)

Compound Name

1,5'-dibenzyl-3'-methyl-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

15'-dibenzyl-3'-methyl-123'3'a4'5'6'6'a-octahydro-2'H-spiro[indole-31'-pyrrolo[34-c]pyrrole]-24'6'-trione

SMILES

CC(C(C1C(N2Cc3ccccc3)=O)C2=O)NC1(c(cccc1)c1N1Cc2ccccc2)C1=O

InChI

InChI=1S/C28H25N3O3/c1-18-23-24(26(33)31(25(23)32)17-20-12-6-3-7-13-20)28(29-18)21-14-8-9-15-22(21)30(27(28)34)16-19-10-4-2-5-11-19/h2-15,18,23-24,29H,16-17H2,1H3

InChI Key

TVYBJYJBYWOVPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.803

Distribution Coefficient, logD

3.801

Water Solubility, LogSw

-4.16

Polar Surface Area

58.008

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

25.00

8015-3071 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8015-3071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3071?
Check Price and Availability of 8015-3071, 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 8015-3071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3071
  • 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 8015-3071 available by request