8018-5391 Screening compound: 1-benzyl-2'-[3-(trifluoromethyl)phenyl]-1,2,2',3',3'a,6',7',8',8'a,8'b-decahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione

8018-5391 Screening compound: 1-benzyl-2'-[3-(trifluoromethyl)phenyl]-1,2,2',3',3'a,6',7',8',8'a,8'b-decahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
8018-5391 Screening compound: 1-benzyl-2'-[3-(trifluoromethyl)phenyl]-1,2,2',3',3'a,6',7',8',8'a,8'b-decahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5391
1-benzyl-2'-[3-(trifluoromethyl)phenyl]-1,2,2',3',3'a,6',7',8',8'a,8'b-decahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'-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

8018-5391

Molecular Formula

C30H24F3N3O3 (C30 H24 F3 N3 O3)

Compound Name

1-benzyl-2'-[3-(trifluoromethyl)phenyl]-1,2,2',3',3'a,6',7',8',8'a,8'b-decahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione

IUPAC name

1-benzyl-2'-[3-(trifluoromethyl)phenyl]-122'3'3'a6'7'8'8'a8'b-decahydro-1'H-spiro[indole-34'-pyrrolo[34-a]pyrrolizine]-1'23'-trione

SMILES

O=C(C(C(CCC1)N1C1(c(cccc2)c2N2Cc3ccccc3)C2=O)C1C1=O)N1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C30H24F3N3O3/c31-30(32,33)19-10-6-11-20(16-19)36-26(37)24-23-14-7-15-35(23)29(25(24)27(36)38)21-12-4-5-13-22(21)34(28(29)39)17-18-8-2-1-3-9-18/h1-6,8-13,16,23-25H,7,14-15,17H2

InChI Key

XPHWSLMTNITVDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06191458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.49

Polar Surface Area

47.467

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

30.00

8018-5391 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-5391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5391?
Check Price and Availability of 8018-5391, 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 8018-5391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5391
  • 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 8018-5391 available by request