SC85-0010 Screening compound: 2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-{(4S,5S)-7-METHYL-4-[3-(3-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]-2,7-DIAZASPIRO[4.4]NON-2-YL}-1-ETHANONE

SC85-0010 Screening compound: 2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-{(4S,5S)-7-METHYL-4-[3-(3-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]-2,7-DIAZASPIRO[4.4]NON-2-YL}-1-ETHANONE
SC85-0010 Screening compound: 2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-{(4S,5S)-7-METHYL-4-[3-(3-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]-2,7-DIAZASPIRO[4.4]NON-2-YL}-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound SC85-0010
2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-{(4S,5S)-7-METHYL-4-[3-(3-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]-2,7-DIAZASPIRO[4.4]NON-2-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

SC85-0010

Molecular Formula

C24H30N6O2 (C24 H30 N6 O2)

Compound Name

2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-{(4S,5S)-7-METHYL-4-[3-(3-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]-2,7-DIAZASPIRO[4.4]NON-2-YL}-1-ETHANONE

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-1-[(4S5S)-7-methyl-4-[3-(3-methylphenyl)-124-oxadiazol-5-yl]-27-diazaspiro[4.4]nonan-2-yl]ethan-1-one

SMILES

Cc1cc(C)nn1CC(N(C1)C[C@]2(CN(C)CC2)[C@@H]1c1nc(-c2cc(C)ccc2)no1)=O

InChI

InChI=1S/C24H30N6O2/c1-16-6-5-7-19(10-16)22-25-23(32-27-22)20-12-29(15-24(20)8-9-28(4)14-24)21(31)13-30-18(3)11-17(2)26-30/h5-7,10-11,20H,8-9,12-15H2,1-4H3/t20-,24+/m1/s1

InChI Key

FLLUBZBNAQUGIE-YKSBVNFPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.435

Distribution Coefficient, logD

-0.945

Water Solubility, LogSw

-2.59

Polar Surface Area

65.702

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

10.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SC85-0010 in Drug Discovery

Included in Screening Libraries

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 SC85-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC85-0010?
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What is the minimum amount of SC85-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC85-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC85-0010
  • 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 SC85-0010 available by request