S828-5689 Screening compound: 2-cyclohexyl-1-[(2S)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-1-ethanone

S828-5689 Screening compound: 2-cyclohexyl-1-[(2S)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-1-ethanone
S828-5689 Screening compound: 2-cyclohexyl-1-[(2S)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-5689
2-cyclohexyl-1-[(2S)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-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

S828-5689

Molecular Formula

C17H23F2N3O2 (C17 H23 F2 N3 O2)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(CC1CCCCC1)N(CC(C1)(F)F)[C@@H]1c1nnc(C2CC2)o1

InChI

InChI=1S/C17H23F2N3O2/c18-17(19)9-13(16-21-20-15(24-16)12-6-7-12)22(10-17)14(23)8-11-4-2-1-3-5-11/h11-13H,1-10H2/t13-/m1/s1

InChI Key

OKLUPBPDYKFIAX-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.728

Distribution Coefficient, logD

3.728

Water Solubility, LogSw

-3.92

Polar Surface Area

47.312

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

82.40

References: we are preparing a list of scientific research reports with S828-5689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-5689?
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What is the minimum amount of S828-5689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-5689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-5689
  • 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 S828-5689 available by request