FF20-3142 Screening compound: (4aS,6aR,9aR)-6-benzylhexahydro-1H-cyclopenta[2,3]pyrrolo[3,4-c]pyridine-1,3,5(2H,6H)-trione

FF20-3142 Screening compound: (4aS,6aR,9aR)-6-benzylhexahydro-1H-cyclopenta[2,3]pyrrolo[3,4-c]pyridine-1,3,5(2H,6H)-trione
FF20-3142 Screening compound: (4aS,6aR,9aR)-6-benzylhexahydro-1H-cyclopenta[2,3]pyrrolo[3,4-c]pyridine-1,3,5(2H,6H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound FF20-3142
(4aS,6aR,9aR)-6-benzylhexahydro-1H-cyclopenta[2,3]pyrrolo[3,4-c]pyridine-1,3,5(2H,6H)-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

FF20-3142

Molecular Formula

C17H18N2O3 (C17 H18 N2 O3)

Compound Name

(4aS,6aR,9aR)-6-benzylhexahydro-1H-cyclopenta[2,3]pyrrolo[3,4-c]pyridine-1,3,5(2H,6H)-trione

IUPAC name

(1R5R8S)-6-benzyl-611-diazatricyclo[6.4.0.0^{15}]dodecane-71012-trione

SMILES

O=C([C@H]1CC(N2)=O)N(Cc3ccccc3)[C@H](CCC3)[C@]13C2=O

InChI

InChI=1S/C17H18N2O3/c20-14-9-12-15(21)19(10-11-5-2-1-3-6-11)13-7-4-8-17(12,13)16(22)18-14/h1-3,5-6,12-13H,4,7-10H2,(H,18,20,22)/t12-,13+,17+/m0/s1

InChI Key

FNTDNSWLZBTGPW-OGHNNQOOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.722

Distribution Coefficient, logD

0.722

Water Solubility, LogSw

-2.02

Polar Surface Area

54.961

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.06

FF20-3142 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with FF20-3142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF20-3142?
Check Price and Availability of FF20-3142, 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 FF20-3142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF20-3142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF20-3142
  • 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 FF20-3142 available by request