S624-0077 Screening compound: 1-(pyridine-3-carbonyl)-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole]

S624-0077 Screening compound: 1-(pyridine-3-carbonyl)-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole]
S624-0077 Screening compound: 1-(pyridine-3-carbonyl)-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole] alternative view

Chemical Structure Depiction of ChemDiv screening compound S624-0077
1-(pyridine-3-carbonyl)-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

S624-0077

Molecular Formula

C21H22N4O (C21 H22 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cnccc1)N(CC1)CCC11NCCc2c1[nH]c1c2cccc1

InChI

InChI=1S/C21H22N4O/c26-20(15-4-3-10-22-14-15)25-12-8-21(9-13-25)19-17(7-11-23-21)16-5-1-2-6-18(16)24-19/h1-6,10,14,23-24H,7-9,11-13H2

InChI Key

PZUORECITWMFEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30464545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.243

Distribution Coefficient, logD

-0.657

Water Solubility, LogSw

-1.46

Polar Surface Area

48.621

Acid Dissociation Constant (pKa)

18.67

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S624-0077 in Drug Discovery

Included in Screening Libraries

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)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S624-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S624-0077?
Check Price and Availability of S624-0077, 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 S624-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S624-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S624-0077
  • 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 S624-0077 available by request