S064-0659 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylacetamide

S064-0659 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylacetamide
S064-0659 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S064-0659
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylacetamide

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

S064-0659

Molecular Formula

C18H25N5O3 (C18 H25 N5 O3)

Compound Name

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylacetamide

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylacetamide

SMILES

CCOc1nccnc1N(CC1)CC1N(C)C(Cc1c(C)onc1C)=O

InChI

InChI=1S/C18H25N5O3/c1-5-25-18-17(19-7-8-20-18)23-9-6-14(11-23)22(4)16(24)10-15-12(2)21-26-13(15)3/h7-8,14H,5-6,9-11H2,1-4H3/t14-/m0/s1

InChI Key

XXMCFMANGKHLAI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29031012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.721

Distribution Coefficient, logD

1.721

Water Solubility, LogSw

-1.69

Polar Surface Area

66.421

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

S064-0659 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S064-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S064-0659?
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What is the minimum amount of S064-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S064-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S064-0659
  • 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 S064-0659 available by request