SC46-0705 Screening compound: 2-cyclohexyl-4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonane

SC46-0705 Screening compound: 2-cyclohexyl-4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonane
SC46-0705 Screening compound: 2-cyclohexyl-4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC46-0705
2-cyclohexyl-4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonane

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

SC46-0705

Molecular Formula

C18H30N4 (C18 H30 N4)

Compound Name

2-cyclohexyl-4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonane

IUPAC name

2-cyclohexyl-4-(3-ethyl-1H-124-triazol-5-yl)-2-azaspiro[4.4]nonane

SMILES

CCc1n[nH]c(C(C2)C3(CCCC3)CN2C2CCCCC2)n1

InChI

InChI=1S/C18H30N4/c1-2-16-19-17(21-20-16)15-12-22(14-8-4-3-5-9-14)13-18(15)10-6-7-11-18/h14-15H,2-13H2,1H3,(H,19,20,21)/t15-/m1/s1

InChI Key

CJVSZNUDSFCBKR-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

-0.462

Water Solubility, LogSw

-3.48

Polar Surface Area

38.819

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

10.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

88.89

SC46-0705 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC46-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC46-0705?
Check Price and Availability of SC46-0705, 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 SC46-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC46-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC46-0705
  • 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 SC46-0705 available by request