S633-0862 Screening compound: (3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)(4-methyl-1,3-oxazol-5-yl)methanone

S633-0862 Screening compound: (3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)(4-methyl-1,3-oxazol-5-yl)methanone
S633-0862 Screening compound: (3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)(4-methyl-1,3-oxazol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-0862
(3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)(4-methyl-1,3-oxazol-5-yl)methanone

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

S633-0862

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

(3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)(4-methyl-1,3-oxazol-5-yl)methanone

IUPAC name

5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-[1-(4-methyl-13-oxazole-5-carbonyl)azetidin-3-yl]-124-oxadiazole

SMILES

Cc1c(C(N(C2)CC2c2noc(C3N(CC4CC4)CCC3)n2)=O)ocn1

InChI

InChI=1S/C18H23N5O3/c1-11-15(25-10-19-11)18(24)23-8-13(9-23)16-20-17(26-21-16)14-3-2-6-22(14)7-12-4-5-12/h10,12-14H,2-9H2,1H3/t14-/m0/s1

InChI Key

RKZKSAIWVQTPMG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29013483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.528

Distribution Coefficient, logD

-1.601

Water Solubility, LogSw

-1.55

Polar Surface Area

71.886

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

10.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S633-0862 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S633-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-0862?
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What is the minimum amount of S633-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-0862
  • 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 S633-0862 available by request