SC46-0696 Screening compound: 1-[4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-3-phenyl-1-propanone

SC46-0696 Screening compound: 1-[4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-3-phenyl-1-propanone
SC46-0696 Screening compound: 1-[4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-3-phenyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC46-0696
1-[4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-3-phenyl-1-propanone

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

SC46-0696

Molecular Formula

C21H28N4O (C21 H28 N4 O)

Compound Name

1-[4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-3-phenyl-1-propanone

IUPAC name

1-[4-(3-ethyl-1H-124-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-phenylpropan-1-one

SMILES

CCc1n[nH]c(C(C2)C3(CCCC3)CN2C(CCc2ccccc2)=O)n1

InChI

InChI=1S/C21H28N4O/c1-2-18-22-20(24-23-18)17-14-25(15-21(17)12-6-7-13-21)19(26)11-10-16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15H2,1H3,(H,22,23,24)/t17-/m0/s1

InChI Key

KFYCKRYTAMWXJS-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.212

Water Solubility, LogSw

-3.30

Polar Surface Area

51.654

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

References: we are preparing a list of scientific research reports with SC46-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC46-0696?
Check Price and Availability of SC46-0696, 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 SC46-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC46-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC46-0696
  • 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 SC46-0696 available by request