SC68-0196 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-ethanone

SC68-0196 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-ethanone
SC68-0196 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-0196
2-(3,5-dimethyl-4-isoxazolyl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-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

SC68-0196

Molecular Formula

C20H29N5O2 (C20 H29 N5 O2)

Compound Name

2-(3,5-dimethyl-4-isoxazolyl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-ethanone

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-1-[4-(4-ethyl-4H-124-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]ethan-1-one

SMILES

CCn1c(C(CN(C2)C(Cc3c(C)onc3C)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C20H29N5O2/c1-4-24-13-21-22-19(24)17-11-25(12-20(17)8-6-5-7-9-20)18(26)10-16-14(2)23-27-15(16)3/h13,17H,4-12H2,1-3H3/t17-/m0/s1

InChI Key

CFFHUJFNZYNMEM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32259053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.639

Distribution Coefficient, logD

1.639

Water Solubility, LogSw

-1.51

Polar Surface Area

62.632

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

References: we are preparing a list of scientific research reports with SC68-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-0196?
Check Price and Availability of SC68-0196, 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 SC68-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-0196
  • 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 SC68-0196 available by request