SC70-0105 Screening compound: 2-(4-ethoxyphenyl)-1-{8-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]oct-6-yl}-1-ethanone

SC70-0105 Screening compound: 2-(4-ethoxyphenyl)-1-{8-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]oct-6-yl}-1-ethanone
SC70-0105 Screening compound: 2-(4-ethoxyphenyl)-1-{8-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]oct-6-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC70-0105
2-(4-ethoxyphenyl)-1-{8-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]oct-6-yl}-1-ethanone

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

SC70-0105

Molecular Formula

C24H27N5O2 (C24 H27 N5 O2)

Compound Name

2-(4-ethoxyphenyl)-1-{8-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]oct-6-yl}-1-ethanone

IUPAC name

2-(4-ethoxyphenyl)-1-{8-[5-(pyridin-4-yl)-1H-124-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}ethan-1-one

SMILES

CCOc1ccc(CC(N(C2)CC3(CCC3)C2c2n[nH]c(-c3ccncc3)n2)=O)cc1

InChI

InChI=1S/C24H27N5O2/c1-2-31-19-6-4-17(5-7-19)14-21(30)29-15-20(24(16-29)10-3-11-24)23-26-22(27-28-23)18-8-12-25-13-9-18/h4-9,12-13,20H,2-3,10-11,14-16H2,1H3,(H,26,27,28)/t20-/m0/s1

InChI Key

ALTBWFOCCOFCJK-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.02

Polar Surface Area

66.909

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

SC70-0105 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC70-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC70-0105?
Check Price and Availability of SC70-0105, 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 SC70-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC70-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC70-0105
  • 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 SC70-0105 available by request