S690-0611 Screening compound: 1-(4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carbonyl)isoquinoline

S690-0611 Screening compound: 1-(4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carbonyl)isoquinoline
S690-0611 Screening compound: 1-(4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carbonyl)isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-0611
1-(4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carbonyl)isoquinoline

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

S690-0611

Molecular Formula

C27H29N3O2 (C27 H29 N3 O2)

Compound Name

1-(4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carbonyl)isoquinoline

IUPAC name

1-(4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carbonyl)isoquinoline

SMILES

O=C(c1ccc(CC(CC2)CCN2C(c2nccc3ccccc23)=O)cc1)N1CCCC1

InChI

InChI=1S/C27H29N3O2/c31-26(29-15-3-4-16-29)23-9-7-20(8-10-23)19-21-12-17-30(18-13-21)27(32)25-24-6-2-1-5-22(24)11-14-28-25/h1-2,5-11,14,21H,3-4,12-13,15-19H2

InChI Key

NSDLSLCDQSYNSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31986761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.000

Distribution Coefficient, logD

4.000

Water Solubility, LogSw

-3.95

Polar Surface Area

43.176

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.04

S690-0611 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S690-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-0611?
Check Price and Availability of S690-0611, 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 S690-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-0611
  • 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 S690-0611 available by request