S059-0150 Screening compound: 3-(3,5-dimethyl-4-isoxazolyl)-1-[3-(3-pyridylamino)-1-pyrrolidinyl]-1-propanone

S059-0150 Screening compound: 3-(3,5-dimethyl-4-isoxazolyl)-1-[3-(3-pyridylamino)-1-pyrrolidinyl]-1-propanone
S059-0150 Screening compound: 3-(3,5-dimethyl-4-isoxazolyl)-1-[3-(3-pyridylamino)-1-pyrrolidinyl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S059-0150
3-(3,5-dimethyl-4-isoxazolyl)-1-[3-(3-pyridylamino)-1-pyrrolidinyl]-1-propanone

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

S059-0150

Molecular Formula

C17H22N4O2 (C17 H22 N4 O2)

Compound Name

3-(3,5-dimethyl-4-isoxazolyl)-1-[3-(3-pyridylamino)-1-pyrrolidinyl]-1-propanone

IUPAC name

n/a

SMILES

Cc1noc(C)c1CCC(N(CC1)CC1Nc1cnccc1)=O

InChI

InChI=1S/C17H22N4O2/c1-12-16(13(2)23-20-12)5-6-17(22)21-9-7-15(11-21)19-14-4-3-8-18-10-14/h3-4,8,10,15,19H,5-7,9,11H2,1-2H3/t15-/m1/s1

InChI Key

ZIODVCXFUZBIQL-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29031356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

1.223

Water Solubility, LogSw

-1.13

Polar Surface Area

57.982

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

S059-0150 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S059-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S059-0150?
Check Price and Availability of S059-0150, 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 S059-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S059-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S059-0150
  • 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 S059-0150 available by request