SC68-1262 Screening compound: [4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](1-ethyl-1H-pyrazol-5-yl)methanone

SC68-1262 Screening compound: [4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](1-ethyl-1H-pyrazol-5-yl)methanone
SC68-1262 Screening compound: [4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](1-ethyl-1H-pyrazol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1262
[4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](1-ethyl-1H-pyrazol-5-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

SC68-1262

Molecular Formula

C24H30N6O (C24 H30 N6 O)

Compound Name

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

IUPAC name

4-(4-benzyl-4H-124-triazol-3-yl)-2-(1-ethyl-1H-pyrazole-5-carbonyl)-2-azaspiro[4.5]decane

SMILES

CCn1nccc1C(N(C1)CC2(CCCCC2)C1c1nncn1Cc1ccccc1)=O

InChI

InChI=1S/C24H30N6O/c1-2-30-21(11-14-26-30)23(31)28-16-20(24(17-28)12-7-4-8-13-24)22-27-25-18-29(22)15-19-9-5-3-6-10-19/h3,5-6,9-11,14,18,20H,2,4,7-8,12-13,15-17H2,1H3/t20-/m0/s1

InChI Key

XQJJLDTXJKMFJV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32259796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

2.383

Water Solubility, LogSw

-2.43

Polar Surface Area

54.214

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC68-1262 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC68-1262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1262?
Check Price and Availability of SC68-1262, 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 SC68-1262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1262
  • 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 SC68-1262 available by request