SC42-0137 Screening compound: 3,5-dimethyl-4-isoxazolyl {4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl} sulfone

SC42-0137 Screening compound: 3,5-dimethyl-4-isoxazolyl {4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl} sulfone
SC42-0137 Screening compound: 3,5-dimethyl-4-isoxazolyl {4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl} sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0137
3,5-dimethyl-4-isoxazolyl {4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl} 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

SC42-0137

Molecular Formula

C18H26N4O5S (C18 H26 N4 O5 S)

Compound Name

3,5-dimethyl-4-isoxazolyl {4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl} sulfone

IUPAC name

9-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-4-[(5-methyl-124-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane

SMILES

Cc1noc(C)c1S(N(CC1)CCC11OCCC(Cc2noc(C)n2)C1)(=O)=O

InChI

InChI=1S/C18H26N4O5S/c1-12-17(13(2)26-20-12)28(23,24)22-7-5-18(6-8-22)11-15(4-9-25-18)10-16-19-14(3)27-21-16/h15H,4-11H2,1-3H3/t15-/m0/s1

InChI Key

JTEHSLBAOGKVMP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32259085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.778

Distribution Coefficient, logD

1.778

Water Solubility, LogSw

-2.04

Polar Surface Area

92.485

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

SC42-0137 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC42-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0137?
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What is the minimum amount of SC42-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0137
  • 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 SC42-0137 available by request