S826-3105 Screening compound: [(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-isoquinolyl)methanone

S826-3105 Screening compound: [(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-isoquinolyl)methanone
S826-3105 Screening compound: [(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-isoquinolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-3105
[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-isoquinolyl)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

S826-3105

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](1-isoquinolyl)methanone

IUPAC name

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

SMILES

Cc1noc([C@@H](C2)[C@@H](CO)CN2C(c2nccc3ccccc23)=O)n1

InChI

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

InChI Key

ZLZKWRZKPNXHRZ-DZGCQCFKSA-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

1.250

Distribution Coefficient, logD

1.250

Water Solubility, LogSw

-2.26

Polar Surface Area

75.072

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

S826-3105 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S826-3105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-3105?
Check Price and Availability of S826-3105, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S826-3105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-3105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-3105
  • 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 S826-3105 available by request