SC42-0219 Screening compound: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl (3-fluorophenyl) sulfone

SC42-0219 Screening compound: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl (3-fluorophenyl) sulfone
SC42-0219 Screening compound: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl (3-fluorophenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0219
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl (3-fluorophenyl) sulfone

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

SC42-0219

Molecular Formula

C21H26FN3O4S (C21 H26 FN3 O4 S)

Compound Name

4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl (3-fluorophenyl) sulfone

IUPAC name

4-[(5-cyclopropyl-124-oxadiazol-3-yl)methyl]-9-(3-fluorobenzenesulfonyl)-1-oxa-9-azaspiro[5.5]undecane

SMILES

O=S(c1cc(F)ccc1)(N(CC1)CCC11OCCC(Cc2noc(C3CC3)n2)C1)=O

InChI

InChI=1S/C21H26FN3O4S/c22-17-2-1-3-18(13-17)30(26,27)25-9-7-21(8-10-25)14-15(6-11-28-21)12-19-23-20(29-24-19)16-4-5-16/h1-3,13,15-16H,4-12,14H2/t15-/m0/s1

InChI Key

IQQLKTWNNYIWKK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32258013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.31

Polar Surface Area

71.471

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SC42-0219 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC42-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0219?
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What is the minimum amount of SC42-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0219
  • 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 SC42-0219 available by request