S828-0357 Screening compound: [(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl](2-methyl-4-pyridyl)methanone

S828-0357 Screening compound: [(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl](2-methyl-4-pyridyl)methanone
S828-0357 Screening compound: [(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl](2-methyl-4-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-0357
[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl](2-methyl-4-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

S828-0357

Molecular Formula

C15H16F2N4O2 (C15 H16 F2 N4 O2)

Compound Name

[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl](2-methyl-4-pyridyl)methanone

IUPAC name

n/a

SMILES

CCc1nnc([C@H](CC(C2)(F)F)N2C(c2cc(C)ncc2)=O)o1

InChI

InChI=1S/C15H16F2N4O2/c1-3-12-19-20-13(23-12)11-7-15(16,17)8-21(11)14(22)10-4-5-18-9(2)6-10/h4-6,11H,3,7-8H2,1-2H3/t11-/m1/s1

InChI Key

AUBUEKVAVCNWQN-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.594

Distribution Coefficient, logD

1.582

Water Solubility, LogSw

-1.77

Polar Surface Area

55.916

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with S828-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-0357?
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What is the minimum amount of S828-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-0357
  • 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 S828-0357 available by request