S826-6010 Screening compound: [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl](3-methyl-2-pyridyl)methanone

S826-6010 Screening compound: [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl](3-methyl-2-pyridyl)methanone
S826-6010 Screening compound: [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl](3-methyl-2-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-6010
[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl](3-methyl-2-pyridyl)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

S826-6010

Molecular Formula

C18H22N4O3 (C18 H22 N4 O3)

Compound Name

[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl](3-methyl-2-pyridyl)methanone

IUPAC name

2-[(3S4S)-3-(3-cyclopropyl-124-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidine-1-carbonyl]-3-methylpyridine

SMILES

Cc1cccnc1C(N(C[C@@H]1COC)C[C@@H]1c1nc(C2CC2)no1)=O

InChI

InChI=1S/C18H22N4O3/c1-11-4-3-7-19-15(11)18(23)22-8-13(10-24-2)14(9-22)17-20-16(21-25-17)12-5-6-12/h3-4,7,12-14H,5-6,8-10H2,1-2H3/t13-,14+/m0/s1

InChI Key

YVTQQQTXANATKK-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.245

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-2.74

Polar Surface Area

67.291

Acid Dissociation Constant (pKa)

24.11

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S826-6010 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S826-6010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-6010?
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What is the minimum amount of S826-6010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-6010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-6010
  • 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 S826-6010 available by request