SC66-0142 Screening compound: [5-methyl-4-(piperidinomethyl)-3-isoxazolyl][4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone

SC66-0142 Screening compound: [5-methyl-4-(piperidinomethyl)-3-isoxazolyl][4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone
SC66-0142 Screening compound: [5-methyl-4-(piperidinomethyl)-3-isoxazolyl][4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0142
[5-methyl-4-(piperidinomethyl)-3-isoxazolyl][4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-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

SC66-0142

Molecular Formula

C22H32N6O3 (C22 H32 N6 O3)

Compound Name

[5-methyl-4-(piperidinomethyl)-3-isoxazolyl][4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone

IUPAC name

2-{5-methyl-4-[(piperidin-1-yl)methyl]-12-oxazole-3-carbonyl}-4-(4-methyl-4H-124-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane

SMILES

Cc1c(CN2CCCCC2)c(C(N(C2)CC3(CCOCC3)C2c2nncn2C)=O)no1

InChI

InChI=1S/C22H32N6O3/c1-16-17(12-27-8-4-3-5-9-27)19(25-31-16)21(29)28-13-18(20-24-23-15-26(20)2)22(14-28)6-10-30-11-7-22/h15,18H,3-14H2,1-2H3/t18-/m0/s1

InChI Key

DQHWNHUIKHFYNL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32257834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.597

Distribution Coefficient, logD

-4.870

Water Solubility, LogSw

-0.45

Polar Surface Area

75.825

Acid Dissociation Constant (pKa)

24.04

Base Dissociation Constant (pKb)

12.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.73

SC66-0142 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 SC66-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0142?
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What is the minimum amount of SC66-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0142
  • 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 SC66-0142 available by request