S624-0091 Screening compound: 1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole]

S624-0091 Screening compound: 1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole]
S624-0091 Screening compound: 1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole] alternative view

Chemical Structure Depiction of ChemDiv screening compound S624-0091
1-{5-[(1H-imidazol-1-yl)methyl]furan-2-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

S624-0091

Molecular Formula

C24H25N5O2 (C24 H25 N5 O2)

Compound Name

1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole]

IUPAC name

1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-2'3'4'9'-tetrahydrospiro[piperidine-41'-pyrido[34-b]indole]

SMILES

O=C(c1ccc(Cn2cncc2)o1)N(CC1)CCC11NCCc2c1[nH]c1c2cccc1

InChI

InChI=1S/C24H25N5O2/c30-23(21-6-5-17(31-21)15-28-14-11-25-16-28)29-12-8-24(9-13-29)22-19(7-10-26-24)18-3-1-2-4-20(18)27-22/h1-6,11,14,16,26-27H,7-10,12-13,15H2

InChI Key

UXLUEZWBENSBJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30464549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.911

Distribution Coefficient, logD

0.010

Water Solubility, LogSw

-2.43

Polar Surface Area

59.495

Acid Dissociation Constant (pKa)

18.67

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S624-0091 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)

Natural-Product-Based Library (3730 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S624-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S624-0091?
Check Price and Availability of S624-0091, 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 S624-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S624-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S624-0091
  • 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 S624-0091 available by request