SC68-0192 Screening compound: [5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl][4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone

SC68-0192 Screening compound: [5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl][4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone
SC68-0192 Screening compound: [5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl][4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-0192
[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl][4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone

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

SC68-0192

Molecular Formula

C24H33N7O2 (C24 H33 N7 O2)

Compound Name

[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl][4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone

IUPAC name

2-[5-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)-12-oxazole-3-carbonyl]-4-(4-ethyl-4H-124-triazol-3-yl)-2-azaspiro[4.5]decane

SMILES

CCn1c(C(CN(C2)C(c3noc(-c4c(C)n(CC)nc4C)c3)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C24H33N7O2/c1-5-29-15-25-26-22(29)18-13-30(14-24(18)10-8-7-9-11-24)23(32)19-12-20(33-28-19)21-16(3)27-31(6-2)17(21)4/h12,15,18H,5-11,13-14H2,1-4H3/t18-/m0/s1

InChI Key

OIYDQZLECGMFAX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32259050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.896

Distribution Coefficient, logD

1.896

Water Solubility, LogSw

-2.07

Polar Surface Area

76.934

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

SC68-0192 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 SC68-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-0192?
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What is the minimum amount of SC68-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-0192
  • 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 SC68-0192 available by request