S826-5129 Screening compound: [1-(2-chlorobenzoyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol

S826-5129 Screening compound: [1-(2-chlorobenzoyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol
S826-5129 Screening compound: [1-(2-chlorobenzoyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-5129
[1-(2-chlorobenzoyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol

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

S826-5129

Molecular Formula

C17H18ClN3O3 (C17 H18 ClN3 O3)

Compound Name

[1-(2-chlorobenzoyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol

IUPAC name

[(3S4S)-1-(2-chlorobenzoyl)-4-(3-cyclopropyl-124-oxadiazol-5-yl)pyrrolidin-3-yl]methanol

SMILES

OC[C@@H](CN(C1)C(c(cccc2)c2Cl)=O)[C@H]1c1nc(C2CC2)no1

InChI

InChI=1S/C17H18ClN3O3/c18-14-4-2-1-3-12(14)17(23)21-7-11(9-22)13(8-21)16-19-15(20-24-16)10-5-6-10/h1-4,10-11,13,22H,5-9H2/t11-,13+/m0/s1

InChI Key

SPSCZAWFMLCWSM-WCQYABFASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.388

Water Solubility, LogSw

-3.12

Polar Surface Area

66.164

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

S826-5129 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S826-5129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-5129?
Check Price and Availability of S826-5129, 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 S826-5129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-5129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-5129
  • 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 S826-5129 available by request