S624-0061 Screening compound: 1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole]

S624-0061 Screening compound: 1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole]
S624-0061 Screening compound: 1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole] alternative view

Chemical Structure Depiction of ChemDiv screening compound S624-0061
1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole]

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

S624-0061

Molecular Formula

C26H29N3O2 (C26 H29 N3 O2)

Compound Name

1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole]

IUPAC name

1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2'3'4'9'-tetrahydrospiro[piperidine-41'-pyrido[34-b]indole]

SMILES

COc1ccc(C2(CC2)C(N(CC2)CCC22NCCc3c2[nH]c2c3cccc2)=O)cc1

InChI

InChI=1S/C26H29N3O2/c1-31-19-8-6-18(7-9-19)25(11-12-25)24(30)29-16-13-26(14-17-29)23-21(10-15-27-26)20-4-2-3-5-22(20)28-23/h2-9,27-28H,10-17H2,1H3

InChI Key

GKLNREZVVIRSMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30464542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

1.101

Water Solubility, LogSw

-3.32

Polar Surface Area

46.899

Acid Dissociation Constant (pKa)

18.67

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.31

S624-0061 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

Natural-Product-Based Library (3730 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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S624-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S624-0061?
Check Price and Availability of S624-0061, 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 S624-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S624-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S624-0061
  • 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 S624-0061 available by request