S827-1833 Screening compound: 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethanone

S827-1833 Screening compound: 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethanone
S827-1833 Screening compound: 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-1833
1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethanone

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

S827-1833

Molecular Formula

C16H19F2N5O2 (C16 H19 F2 N5 O2)

Compound Name

1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethanone

IUPAC name

1-[(2S)-2-(3-cyclopropyl-124-oxadiazol-5-yl)-44-difluoropyrrolidin-1-yl]-2-(35-dimethyl-1H-pyrazol-1-yl)ethan-1-one

SMILES

Cc1cc(C)nn1CC(N(CC(C1)(F)F)[C@@H]1c1nc(C2CC2)no1)=O

InChI

InChI=1S/C16H19F2N5O2/c1-9-5-10(2)23(20-9)7-13(24)22-8-16(17,18)6-12(22)15-19-14(21-25-15)11-3-4-11/h5,11-12H,3-4,6-8H2,1-2H3/t12-/m1/s1

InChI Key

HTHGUPIXNIJLBM-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.678

Distribution Coefficient, logD

1.678

Water Solubility, LogSw

-1.71

Polar Surface Area

62.289

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S827-1833 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)

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 S827-1833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-1833?
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What is the minimum amount of S827-1833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-1833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-1833
  • 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 S827-1833 available by request