8014-1901 Screening compound: 5'-(2-methoxyphenyl)-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

8014-1901 Screening compound: 5'-(2-methoxyphenyl)-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
8014-1901 Screening compound: 5'-(2-methoxyphenyl)-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 8014-1901
5'-(2-methoxyphenyl)-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

8014-1901

Molecular Formula

C21H19N3O4 (C21 H19 N3 O4)

Compound Name

5'-(2-methoxyphenyl)-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

5'-(2-methoxyphenyl)-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(N2c(cccc3)c3OC)=O)C2=O)NC1(c(cccc1)c1N1)C1=O

InChI

InChI=1S/C21H19N3O4/c1-11-16-17(21(23-11)12-7-3-4-8-13(12)22-20(21)27)19(26)24(18(16)25)14-9-5-6-10-15(14)28-2/h3-11,16-17,23H,1-2H3,(H,22,27)

InChI Key

DZBVSUKLDIXIHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.353

Distribution Coefficient, logD

1.351

Water Solubility, LogSw

-2.18

Polar Surface Area

74.501

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

28.57

8014-1901 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8014-1901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1901?
Check Price and Availability of 8014-1901, 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 8014-1901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1901
  • 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 8014-1901 available by request