S527-0006 Screening compound: (3AR,5AR,9AR)-5-{[5-(1H-IMIDAZOL-1-YLMETHYL)-2-FURYL]CARBONYL}DECAHYDRO-1H-PYRROLO[3,4-C]INDOL-1-ONE

S527-0006 Screening compound: (3AR,5AR,9AR)-5-{[5-(1H-IMIDAZOL-1-YLMETHYL)-2-FURYL]CARBONYL}DECAHYDRO-1H-PYRROLO[3,4-C]INDOL-1-ONE
S527-0006 Screening compound: (3AR,5AR,9AR)-5-{[5-(1H-IMIDAZOL-1-YLMETHYL)-2-FURYL]CARBONYL}DECAHYDRO-1H-PYRROLO[3,4-C]INDOL-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S527-0006
(3AR,5AR,9AR)-5-{[5-(1H-IMIDAZOL-1-YLMETHYL)-2-FURYL]CARBONYL}DECAHYDRO-1H-PYRROLO[3,4-C]INDOL-1-ONE

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

S527-0006

Molecular Formula

C19H22N4O3 (C19 H22 N4 O3)

Compound Name

(3AR,5AR,9AR)-5-{[5-(1H-IMIDAZOL-1-YLMETHYL)-2-FURYL]CARBONYL}DECAHYDRO-1H-PYRROLO[3,4-C]INDOL-1-ONE

IUPAC name

(3aR5aR9aR)-5-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-decahydro-1H-pyrrolo[34-d]indol-1-one

SMILES

O=C(c1ccc(Cn2cncc2)o1)N(C[C@@H]1CN2)[C@@H](CCCC3)[C@@]13C2=O

InChI

InChI=1S/C19H22N4O3/c24-17(15-5-4-14(26-15)11-22-8-7-20-12-22)23-10-13-9-21-18(25)19(13)6-2-1-3-16(19)23/h4-5,7-8,12-13,16H,1-3,6,9-11H2,(H,21,25)/t13-,16+,19+/m1/s1

InChI Key

FHJSQQCHXDVBOH-AZOIQLNYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.108

Distribution Coefficient, logD

1.086

Water Solubility, LogSw

-1.79

Polar Surface Area

62.086

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.63

S527-0006 in Drug Discovery

Included in Screening Libraries

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

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S527-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S527-0006?
Check Price and Availability of S527-0006, 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 S527-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S527-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S527-0006
  • 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 S527-0006 available by request