S827-1131 Screening compound: 3-[4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-indazole

S827-1131 Screening compound: 3-[4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-indazole
S827-1131 Screening compound: 3-[4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-1131
3-[4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-indazole

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

S827-1131

Molecular Formula

C15H13F2N5O2 (C15 H13 F2 N5 O2)

Compound Name

3-[4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-indazole

IUPAC name

3-[(2S)-44-difluoro-2-(3-methyl-124-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-indazole

SMILES

Cc1noc([C@H](CC(C2)(F)F)N2C(c2n[nH]c3c2cccc3)=O)n1

InChI

InChI=1S/C15H13F2N5O2/c1-8-18-13(24-21-8)11-6-15(16,17)7-22(11)14(23)12-9-4-2-3-5-10(9)19-20-12/h2-5,11H,6-7H2,1H3,(H,19,20)/t11-/m1/s1

InChI Key

OGWBNOKSMRMJPR-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.158

Distribution Coefficient, logD

2.158

Water Solubility, LogSw

-2.71

Polar Surface Area

71.417

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S827-1131 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S827-1131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-1131?
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What is the minimum amount of S827-1131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-1131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-1131
  • 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 S827-1131 available by request