S633-0203 Screening compound: 3-(3-METHOXY-5-ISOXAZOLYL)-1-{3-[5-(1-METHYL-2-PYRROLIDINYL)-1,2,4-OXADIAZOL-3-YL]-1-AZETANYL}-1-PROPANONE

S633-0203 Screening compound: 3-(3-METHOXY-5-ISOXAZOLYL)-1-{3-[5-(1-METHYL-2-PYRROLIDINYL)-1,2,4-OXADIAZOL-3-YL]-1-AZETANYL}-1-PROPANONE
S633-0203 Screening compound: 3-(3-METHOXY-5-ISOXAZOLYL)-1-{3-[5-(1-METHYL-2-PYRROLIDINYL)-1,2,4-OXADIAZOL-3-YL]-1-AZETANYL}-1-PROPANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-0203
3-(3-METHOXY-5-ISOXAZOLYL)-1-{3-[5-(1-METHYL-2-PYRROLIDINYL)-1,2,4-OXADIAZOL-3-YL]-1-AZETANYL}-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

S633-0203

Molecular Formula

C17H23N5O4 (C17 H23 N5 O4)

Compound Name

3-(3-METHOXY-5-ISOXAZOLYL)-1-{3-[5-(1-METHYL-2-PYRROLIDINYL)-1,2,4-OXADIAZOL-3-YL]-1-AZETANYL}-1-PROPANONE

IUPAC name

3-(3-methoxy-12-oxazol-5-yl)-1-{3-[5-(1-methylpyrrolidin-2-yl)-124-oxadiazol-3-yl]azetidin-1-yl}propan-1-one

SMILES

CN(CCC1)C1c1nc(C(C2)CN2C(CCc2cc(OC)no2)=O)no1

InChI

InChI=1S/C17H23N5O4/c1-21-7-3-4-13(21)17-18-16(20-26-17)11-9-22(10-11)15(23)6-5-12-8-14(24-2)19-25-12/h8,11,13H,3-7,9-10H2,1-2H3/t13-/m0/s1

InChI Key

SYLCSJNIFMKWTQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29013939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.922

Distribution Coefficient, logD

-0.776

Water Solubility, LogSw

-1.18

Polar Surface Area

80.329

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

S633-0203 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S633-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-0203?
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What is the minimum amount of S633-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-0203
  • 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 S633-0203 available by request