S030-1938 Screening compound: N-ETHYL-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-2-(THIOPHENE-2-CARBONYL)-2-AZASPIRO[4.5]DECANE-4-CARBOXAMIDE

S030-1938 Screening compound: N-ETHYL-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-2-(THIOPHENE-2-CARBONYL)-2-AZASPIRO[4.5]DECANE-4-CARBOXAMIDE
S030-1938 Screening compound: N-ETHYL-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-2-(THIOPHENE-2-CARBONYL)-2-AZASPIRO[4.5]DECANE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S030-1938
N-ETHYL-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-2-(THIOPHENE-2-CARBONYL)-2-AZASPIRO[4.5]DECANE-4-CARBOXAMIDE

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

S030-1938

Molecular Formula

C23H32N4O2S (C23 H32 N4 O2 S)

Compound Name

N-ETHYL-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-2-(THIOPHENE-2-CARBONYL)-2-AZASPIRO[4.5]DECANE-4-CARBOXAMIDE

IUPAC name

N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide

SMILES

CCN(Cc1cn(CC)nc1)C(C(CN(C1)C(c2cccs2)=O)C11CCCCC1)=O

InChI

InChI=1S/C23H32N4O2S/c1-3-25(14-18-13-24-27(4-2)15-18)21(28)19-16-26(22(29)20-9-8-12-30-20)17-23(19)10-6-5-7-11-23/h8-9,12-13,15,19H,3-7,10-11,14,16-17H2,1-2H3/t19-/m0/s1

InChI Key

KKYCJRFZBZYOJF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27617178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.568

Water Solubility, LogSw

-2.45

Polar Surface Area

48.496

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

S030-1938 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with S030-1938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S030-1938?
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What is the minimum amount of S030-1938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S030-1938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S030-1938
  • 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 S030-1938 available by request