S826-3107 Screening compound: [(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](2-quinolyl)methanone

S826-3107 Screening compound: [(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](2-quinolyl)methanone
S826-3107 Screening compound: [(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](2-quinolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-3107
[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](2-quinolyl)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

S826-3107

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](2-quinolyl)methanone

IUPAC name

[(3S4S)-4-(3-methyl-124-oxadiazol-5-yl)-1-(quinoline-2-carbonyl)pyrrolidin-3-yl]methanol

SMILES

Cc1noc([C@@H](C2)[C@@H](CO)CN2C(c2nc3ccccc3cc2)=O)n1

InChI

InChI=1S/C18H18N4O3/c1-11-19-17(25-21-11)14-9-22(8-13(14)10-23)18(24)16-7-6-12-4-2-3-5-15(12)20-16/h2-7,13-14,23H,8-10H2,1H3/t13-,14+/m0/s1

InChI Key

XBKNKWIQKPSVNX-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.666

Distribution Coefficient, logD

1.666

Water Solubility, LogSw

-2.41

Polar Surface Area

73.856

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

S826-3107 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 S826-3107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-3107?
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What is the minimum amount of S826-3107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-3107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-3107
  • 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 S826-3107 available by request