S828-1888 Screening compound: 1-{(2S)-4,4-difluoro-2-[5-(2-pyrazinyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}-1-pentanone

S828-1888 Screening compound: 1-{(2S)-4,4-difluoro-2-[5-(2-pyrazinyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}-1-pentanone
S828-1888 Screening compound: 1-{(2S)-4,4-difluoro-2-[5-(2-pyrazinyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}-1-pentanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-1888
1-{(2S)-4,4-difluoro-2-[5-(2-pyrazinyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}-1-pentanone

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

S828-1888

Molecular Formula

C15H17F2N5O2 (C15 H17 F2 N5 O2)

Compound Name

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

IUPAC name

1-[(2S)-44-difluoro-2-[5-(pyrazin-2-yl)-134-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one

SMILES

CCCCC(N(CC(C1)(F)F)[C@@H]1c1nnc(-c2nccnc2)o1)=O

InChI

InChI=1S/C15H17F2N5O2/c1-2-3-4-12(23)22-9-15(16,17)7-11(22)14-21-20-13(24-14)10-8-18-5-6-19-10/h5-6,8,11H,2-4,7,9H2,1H3/t11-/m1/s1

InChI Key

ABJXQDRGJAJYCT-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.607

Distribution Coefficient, logD

1.607

Water Solubility, LogSw

-1.40

Polar Surface Area

65.434

Acid Dissociation Constant (pKa)

24.17

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

References: we are preparing a list of scientific research reports with S828-1888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-1888?
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What is the minimum amount of S828-1888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-1888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-1888
  • 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 S828-1888 available by request