S826-3101 Screening compound: [1-(5-chloro-2-methoxybenzoyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol

S826-3101 Screening compound: [1-(5-chloro-2-methoxybenzoyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol
S826-3101 Screening compound: [1-(5-chloro-2-methoxybenzoyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-3101
[1-(5-chloro-2-methoxybenzoyl)-4-(3-methyl-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

S826-3101

Molecular Formula

C16H18ClN3O4 (C16 H18 ClN3 O4)

Compound Name

[1-(5-chloro-2-methoxybenzoyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol

IUPAC name

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

SMILES

Cc1noc([C@@H](C2)[C@@H](CO)CN2C(c(cc(cc2)Cl)c2OC)=O)n1

InChI

InChI=1S/C16H18ClN3O4/c1-9-18-15(24-19-9)13-7-20(6-10(13)8-21)16(22)12-5-11(17)3-4-14(12)23-2/h3-5,10,13,21H,6-8H2,1-2H3/t10-,13+/m0/s1

InChI Key

VSKXHYPTLOXCBW-GXFFZTMASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.602

Distribution Coefficient, logD

1.602

Water Solubility, LogSw

-2.65

Polar Surface Area

73.155

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.75

S826-3101 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S826-3101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-3101?
Check Price and Availability of S826-3101, 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 S826-3101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-3101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-3101
  • 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 S826-3101 available by request