S828-5606 Screening compound: 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-morpholino-1-ethanone

S828-5606 Screening compound: 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-morpholino-1-ethanone
S828-5606 Screening compound: 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-morpholino-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-5606
1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-morpholino-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

S828-5606

Molecular Formula

C14H20F2N4O3 (C14 H20 F2 N4 O3)

Compound Name

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

IUPAC name

n/a

SMILES

CCc1nnc([C@H](CC(C2)(F)F)N2C(CN2CCOCC2)=O)o1

InChI

InChI=1S/C14H20F2N4O3/c1-2-11-17-18-13(23-11)10-7-14(15,16)9-20(10)12(21)8-19-3-5-22-6-4-19/h10H,2-9H2,1H3/t10-/m1/s1

InChI Key

CIYNLVOALNTYRJ-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.293

Distribution Coefficient, logD

0.292

Water Solubility, LogSw

-0.26

Polar Surface Area

58.447

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.60

S828-5606 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S828-5606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-5606?
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What is the minimum amount of S828-5606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-5606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-5606
  • 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 S828-5606 available by request