S030-1949 Screening compound: N~4~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~4~-methyl-2-(2-thienylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide

S030-1949 Screening compound: N~4~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~4~-methyl-2-(2-thienylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide
S030-1949 Screening compound: N~4~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~4~-methyl-2-(2-thienylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S030-1949
N~4~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~4~-methyl-2-(2-thienylcarbonyl)-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

S030-1949

Molecular Formula

C22H30N4O2S (C22 H30 N4 O2 S)

Compound Name

N~4~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~4~-methyl-2-(2-thienylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

n/a

SMILES

Cc1nn(C)cc1CN(C)C(C(CN(C1)C(c2cccs2)=O)C11CCCCC1)=O

InChI

InChI=1S/C22H30N4O2S/c1-16-17(13-25(3)23-16)12-24(2)20(27)18-14-26(21(28)19-8-7-11-29-19)15-22(18)9-5-4-6-10-22/h7-8,11,13,18H,4-6,9-10,12,14-15H2,1-3H3/t18-/m0/s1

InChI Key

JHBQNMCYSMVMJY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27617181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.193

Distribution Coefficient, logD

2.193

Water Solubility, LogSw

-2.34

Polar Surface Area

49.371

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

S030-1949 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S030-1949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S030-1949?
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What is the minimum amount of S030-1949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S030-1949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S030-1949
  • 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 S030-1949 available by request