SC66-0500 Screening compound: 2-(benzyloxy)-1-[4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-1-ethanone

SC66-0500 Screening compound: 2-(benzyloxy)-1-[4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-1-ethanone
SC66-0500 Screening compound: 2-(benzyloxy)-1-[4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0500
2-(benzyloxy)-1-[4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-8-oxa-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

SC66-0500

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

2-(benzyloxy)-1-[4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-1-ethanone

IUPAC name

2-(benzyloxy)-1-[4-(4-cyclopropyl-4H-124-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethan-1-one

SMILES

O=C(COCc1ccccc1)N(C1)CC2(CCOCC2)C1c1nncn1C1CC1

InChI

InChI=1S/C22H28N4O3/c27-20(14-29-13-17-4-2-1-3-5-17)25-12-19(22(15-25)8-10-28-11-9-22)21-24-23-16-26(21)18-6-7-18/h1-5,16,18-19H,6-15H2/t19-/m0/s1

InChI Key

ANUVXIOTOIMPCT-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.392

Distribution Coefficient, logD

1.392

Water Solubility, LogSw

-1.55

Polar Surface Area

57.564

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

References: we are preparing a list of scientific research reports with SC66-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0500?
Check Price and Availability of SC66-0500, 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 SC66-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0500
  • 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 SC66-0500 available by request