S828-3400 Screening compound: {(2S)-4,4-difluoro-2-[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}(3-pyridyl)methanone

S828-3400 Screening compound: {(2S)-4,4-difluoro-2-[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}(3-pyridyl)methanone
S828-3400 Screening compound: {(2S)-4,4-difluoro-2-[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}(3-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-3400
{(2S)-4,4-difluoro-2-[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}(3-pyridyl)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

S828-3400

Molecular Formula

C17H13F2N5O2 (C17 H13 F2 N5 O2)

Compound Name

{(2S)-4,4-difluoro-2-[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}(3-pyridyl)methanone

IUPAC name

4-{5-[(2S)-44-difluoro-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-134-oxadiazol-2-yl}pyridine

SMILES

O=C(c1cnccc1)N(CC(C1)(F)F)[C@@H]1c1nnc(-c2ccncc2)o1

InChI

InChI=1S/C17H13F2N5O2/c18-17(19)8-13(24(10-17)16(25)12-2-1-5-21-9-12)15-23-22-14(26-15)11-3-6-20-7-4-11/h1-7,9,13H,8,10H2/t13-/m1/s1

InChI Key

VQGLACKIKIHJKR-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.096

Distribution Coefficient, logD

1.095

Water Solubility, LogSw

-0.96

Polar Surface Area

66.070

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

S828-3400 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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

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

References: we are preparing a list of scientific research reports with S828-3400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-3400?
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What is the minimum amount of S828-3400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-3400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-3400
  • 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 S828-3400 available by request