SC68-0176 Screening compound: 3-(4-{[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methyl}-1H-pyrazol-3-yl)phenyl methyl ether

SC68-0176 Screening compound: 3-(4-{[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methyl}-1H-pyrazol-3-yl)phenyl methyl ether
SC68-0176 Screening compound: 3-(4-{[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methyl}-1H-pyrazol-3-yl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-0176
3-(4-{[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methyl}-1H-pyrazol-3-yl)phenyl methyl ether

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

SC68-0176

Molecular Formula

C24H32N6O (C24 H32 N6 O)

Compound Name

3-(4-{[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methyl}-1H-pyrazol-3-yl)phenyl methyl ether

IUPAC name

4-(4-ethyl-4H-124-triazol-3-yl)-2-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-azaspiro[4.5]decane

SMILES

CCn1c(C(CN(Cc2c[nH]nc2-c2cccc(OC)c2)C2)C22CCCCC2)nnc1

InChI

InChI=1S/C24H32N6O/c1-3-30-17-26-28-23(30)21-15-29(16-24(21)10-5-4-6-11-24)14-19-13-25-27-22(19)18-8-7-9-20(12-18)31-2/h7-9,12-13,17,21H,3-6,10-11,14-16H2,1-2H3,(H,25,27)/t21-/m0/s1

InChI Key

ARDBYFOFJVSXPO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32258932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

0.182

Water Solubility, LogSw

-3.22

Polar Surface Area

59.939

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

10.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

SC68-0176 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC68-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-0176?
Check Price and Availability of SC68-0176, 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 SC68-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-0176
  • 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 SC68-0176 available by request