S527-0017 Screening compound: 5-(3-phenyl-1H-pyrazole-5-carbonyl)-decahydro-1H-pyrrolo[3,4-d]indol-1-one

S527-0017 Screening compound: 5-(3-phenyl-1H-pyrazole-5-carbonyl)-decahydro-1H-pyrrolo[3,4-d]indol-1-one
S527-0017 Screening compound: 5-(3-phenyl-1H-pyrazole-5-carbonyl)-decahydro-1H-pyrrolo[3,4-d]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S527-0017
5-(3-phenyl-1H-pyrazole-5-carbonyl)-decahydro-1H-pyrrolo[3,4-d]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

S527-0017

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

5-(3-phenyl-1H-pyrazole-5-carbonyl)-decahydro-1H-pyrrolo[3,4-d]indol-1-one

IUPAC name

(3aR5aR9aR)-5-(3-phenyl-1H-pyrazole-5-carbonyl)-decahydro-1H-pyrrolo[34-d]indol-1-one

SMILES

O=C(c1cc(-c2ccccc2)n[nH]1)N(C[C@@H]1CN2)[C@@H](CCCC3)[C@@]13C2=O

InChI

InChI=1S/C20H22N4O2/c25-18(16-10-15(22-23-16)13-6-2-1-3-7-13)24-12-14-11-21-19(26)20(14)9-5-4-8-17(20)24/h1-3,6-7,10,14,17H,4-5,8-9,11-12H2,(H,21,26)(H,22,23)/t14-,17+,20+/m1/s1

InChI Key

XTCCEEAUIPDDII-LIVBEALHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.603

Distribution Coefficient, logD

2.601

Water Solubility, LogSw

-2.97

Polar Surface Area

64.184

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

45.00

S527-0017 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S527-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S527-0017?
Check Price and Availability of S527-0017, 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 S527-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S527-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S527-0017
  • 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 S527-0017 available by request