S624-0227 Screening compound: 2'-methyl-1-{5-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carbonyl}-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole]

S624-0227 Screening compound: 2'-methyl-1-{5-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carbonyl}-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole]
S624-0227 Screening compound: 2'-methyl-1-{5-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carbonyl}-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole] alternative view

Chemical Structure Depiction of ChemDiv screening compound S624-0227
2'-methyl-1-{5-[(morpholin-4-yl)methyl]-1,2-oxazole-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

S624-0227

Molecular Formula

C25H31N5O3 (C25 H31 N5 O3)

Compound Name

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

IUPAC name

2'-methyl-1-{5-[(morpholin-4-yl)methyl]-12-oxazole-3-carbonyl}-2'3'4'9'-tetrahydrospiro[piperidine-41'-pyrido[34-b]indole]

SMILES

CN(CC1)C(CC2)(CCN2C(c2noc(CN3CCOCC3)c2)=O)c2c1c(cccc1)c1[nH]2

InChI

InChI=1S/C25H31N5O3/c1-28-9-6-20-19-4-2-3-5-21(19)26-23(20)25(28)7-10-30(11-8-25)24(31)22-16-18(33-27-22)17-29-12-14-32-15-13-29/h2-5,16,26H,6-15,17H2,1H3

InChI Key

VORZREYBQQSNAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30464585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.026

Distribution Coefficient, logD

0.965

Water Solubility, LogSw

-2.90

Polar Surface Area

62.361

Acid Dissociation Constant (pKa)

18.67

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

S624-0227 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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 S624-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S624-0227?
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What is the minimum amount of S624-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S624-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S624-0227
  • 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 S624-0227 available by request