SC66-0119 Screening compound: [3-(4-fluorophenyl)-1H-pyrazol-4-yl][4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone

SC66-0119 Screening compound: [3-(4-fluorophenyl)-1H-pyrazol-4-yl][4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone
SC66-0119 Screening compound: [3-(4-fluorophenyl)-1H-pyrazol-4-yl][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 SC66-0119
[3-(4-fluorophenyl)-1H-pyrazol-4-yl][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

SC66-0119

Molecular Formula

C21H23FN6O2 (C21 H23 FN6 O2)

Compound Name

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

IUPAC name

2-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-4-(4-methyl-4H-124-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane

SMILES

Cn1c(C(CN(C2)C(c3c[nH]nc3-c(cc3)ccc3F)=O)C22CCOCC2)nnc1

InChI

InChI=1S/C21H23FN6O2/c1-27-13-24-26-19(27)17-11-28(12-21(17)6-8-30-9-7-21)20(29)16-10-23-25-18(16)14-2-4-15(22)5-3-14/h2-5,10,13,17H,6-9,11-12H2,1H3,(H,23,25)/t17-/m0/s1

InChI Key

SBFHUGUJLWOKAS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32257601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.030

Distribution Coefficient, logD

1.030

Water Solubility, LogSw

-2.37

Polar Surface Area

74.051

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

SC66-0119 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 SC66-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0119?
Check Price and Availability of SC66-0119, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC66-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0119
  • 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 SC66-0119 available by request