S633-1167 Screening compound: 2-(3-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-azetanyl}-1,2,4-oxadiazol-5-yl)-N~1~-methyl-1-pyrrolidinecarboxamide

S633-1167 Screening compound: 2-(3-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-azetanyl}-1,2,4-oxadiazol-5-yl)-N~1~-methyl-1-pyrrolidinecarboxamide
S633-1167 Screening compound: 2-(3-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-azetanyl}-1,2,4-oxadiazol-5-yl)-N~1~-methyl-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-1167
2-(3-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-azetanyl}-1,2,4-oxadiazol-5-yl)-N~1~-methyl-1-pyrrolidinecarboxamide

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

S633-1167

Molecular Formula

C18H25N7O3 (C18 H25 N7 O3)

Compound Name

2-(3-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-azetanyl}-1,2,4-oxadiazol-5-yl)-N~1~-methyl-1-pyrrolidinecarboxamide

IUPAC name

2-(3-{1-[2-(35-dimethyl-1H-pyrazol-1-yl)acetyl]azetidin-3-yl}-124-oxadiazol-5-yl)-N-methylpyrrolidine-1-carboxamide

SMILES

Cc1cc(C)nn1CC(N(C1)CC1c1noc(C(CCC2)N2C(NC)=O)n1)=O

InChI

InChI=1S/C18H25N7O3/c1-11-7-12(2)25(21-11)10-15(26)23-8-13(9-23)16-20-17(28-22-16)14-5-4-6-24(14)18(27)19-3/h7,13-14H,4-6,8-10H2,1-3H3,(H,19,27)/t14-/m0/s1

InChI Key

GVRCALRVAOGYPH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29016797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.000

Distribution Coefficient, logD

-0.000

Water Solubility, LogSw

-1.20

Polar Surface Area

89.243

Acid Dissociation Constant (pKa)

17.15

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S633-1167 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)

Alpha-Helix Mimetics Library (25899 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
  • Mimetics

References: we are preparing a list of scientific research reports with S633-1167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-1167?
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What is the minimum amount of S633-1167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-1167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-1167
  • 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 S633-1167 available by request