S826-4083 Screening compound: [(3S,4S)-3-[(cyclopropylmethoxy)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-1H-pyrazol-4-yl)methanone

S826-4083 Screening compound: [(3S,4S)-3-[(cyclopropylmethoxy)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-1H-pyrazol-4-yl)methanone
S826-4083 Screening compound: [(3S,4S)-3-[(cyclopropylmethoxy)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-1H-pyrazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-4083
[(3S,4S)-3-[(cyclopropylmethoxy)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-1H-pyrazol-4-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

S826-4083

Molecular Formula

C18H25N5O3 (C18 H25 N5 O3)

Compound Name

[(3S,4S)-3-[(cyclopropylmethoxy)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-1H-pyrazol-4-yl)methanone

IUPAC name

5-[(3S4S)-4-[(cyclopropylmethoxy)methyl]-1-(1-ethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]-3-methyl-124-oxadiazole

SMILES

CCn1ncc(C(N(C[C@@H]2COCC3CC3)C[C@@H]2c2nc(C)no2)=O)c1

InChI

InChI=1S/C18H25N5O3/c1-3-23-8-14(6-19-23)18(24)22-7-15(11-25-10-13-4-5-13)16(9-22)17-20-12(2)21-26-17/h6,8,13,15-16H,3-5,7,9-11H2,1-2H3/t15-,16+/m0/s1

InChI Key

NVPDVTCOQHBLAB-JKSUJKDBSA-N

MDL Number (MFCD)

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

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.110

Distribution Coefficient, logD

1.110

Water Solubility, LogSw

-1.92

Polar Surface Area

71.598

Acid Dissociation Constant (pKa)

24.34

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

S826-4083 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S826-4083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-4083?
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What is the minimum amount of S826-4083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-4083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-4083
  • 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 S826-4083 available by request