8014-1721 Screening compound: 3'-isobutyl-5'-isopropyl-1-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

8014-1721 Screening compound: 3'-isobutyl-5'-isopropyl-1-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
8014-1721 Screening compound: 3'-isobutyl-5'-isopropyl-1-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 8014-1721
3'-isobutyl-5'-isopropyl-1-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

8014-1721

Molecular Formula

C21H27N3O3 (C21 H27 N3 O3)

Compound Name

3'-isobutyl-5'-isopropyl-1-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

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

SMILES

CC(C)CC(C(C1C(N2C(C)C)=O)C2=O)NC1(c(cccc1)c1N1C)C1=O

InChI

InChI=1S/C21H27N3O3/c1-11(2)10-14-16-17(19(26)24(12(3)4)18(16)25)21(22-14)13-8-6-7-9-15(13)23(5)20(21)27/h6-9,11-12,14,16-17,22H,10H2,1-5H3

InChI Key

ACFSALJTHZUQDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.981

Distribution Coefficient, logD

1.969

Water Solubility, LogSw

-2.73

Polar Surface Area

58.644

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

57.14

8014-1721 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-1721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1721?
Check Price and Availability of 8014-1721, 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 8014-1721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1721
  • 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 8014-1721 available by request