SC85-0862 Screening compound: 3,5-dimethyl-4-isoxazolyl {(4S,5S)-7-methyl-4-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-yl} sulfone

SC85-0862 Screening compound: 3,5-dimethyl-4-isoxazolyl {(4S,5S)-7-methyl-4-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-yl} sulfone
SC85-0862 Screening compound: 3,5-dimethyl-4-isoxazolyl {(4S,5S)-7-methyl-4-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-yl} sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC85-0862
3,5-dimethyl-4-isoxazolyl {(4S,5S)-7-methyl-4-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-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

SC85-0862

Molecular Formula

C19H23N7O4S (C19 H23 N7 O4 S)

Compound Name

3,5-dimethyl-4-isoxazolyl {(4S,5S)-7-methyl-4-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-yl} sulfone

IUPAC name

(4S5S)-2-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-7-methyl-4-[3-(pyrazin-2-yl)-124-oxadiazol-5-yl]-27-diazaspiro[4.4]nonane

SMILES

Cc1noc(C)c1S(N(C1)C[C@]2(CN(C)CC2)[C@@H]1c1nc(-c2nccnc2)no1)(=O)=O

InChI

InChI=1S/C19H23N7O4S/c1-12-16(13(2)29-23-12)31(27,28)26-9-14(19(11-26)4-7-25(3)10-19)18-22-17(24-30-18)15-8-20-5-6-21-15/h5-6,8,14H,4,7,9-11H2,1-3H3/t14-,19+/m1/s1

InChI Key

XHUYVKRAVKYUIE-KUHUBIRLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.397

Distribution Coefficient, logD

-2.609

Water Solubility, LogSw

-1.64

Polar Surface Area

107.888

Acid Dissociation Constant (pKa)

27.24

Base Dissociation Constant (pKb)

10.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.63

SC85-0862 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC85-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC85-0862?
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What is the minimum amount of SC85-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC85-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC85-0862
  • 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 SC85-0862 available by request