S213-0145 Screening compound: N-CYCLOPROPYL-2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-N-[(OXOLAN-3-YL)METHYL]ACETAMIDE

S213-0145 Screening compound: N-CYCLOPROPYL-2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-N-[(OXOLAN-3-YL)METHYL]ACETAMIDE
S213-0145 Screening compound: N-CYCLOPROPYL-2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-N-[(OXOLAN-3-YL)METHYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0145
N-CYCLOPROPYL-2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-N-[(OXOLAN-3-YL)METHYL]ACETAMIDE

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

S213-0145

Molecular Formula

C15H23N3O2 (C15 H23 N3 O2)

Compound Name

N-CYCLOPROPYL-2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-N-[(OXOLAN-3-YL)METHYL]ACETAMIDE

IUPAC name

n/a

SMILES

Cc1cc(C)nn1CC(N(CC1COCC1)C1CC1)=O

InChI

InChI=1S/C15H23N3O2/c1-11-7-12(2)18(16-11)9-15(19)17(14-3-4-14)8-13-5-6-20-10-13/h7,13-14H,3-6,8-10H2,1-2H3/t13-/m1/s1

InChI Key

GFLUIHHWMBQMGS-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27617732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.873

Distribution Coefficient, logD

0.873

Water Solubility, LogSw

-0.87

Polar Surface Area

38.198

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.30

S213-0145 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S213-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0145?
Check Price and Availability of S213-0145, 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 S213-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0145
  • 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 S213-0145 available by request