SC66-0042 Screening compound: 2,3-dimethoxy-5-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methyl}phenyl methyl ether

SC66-0042 Screening compound: 2,3-dimethoxy-5-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methyl}phenyl methyl ether
SC66-0042 Screening compound: 2,3-dimethoxy-5-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methyl}phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0042
2,3-dimethoxy-5-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methyl}phenyl methyl ether

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

SC66-0042

Molecular Formula

C21H30N4O4 (C21 H30 N4 O4)

Compound Name

2,3-dimethoxy-5-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methyl}phenyl methyl ether

IUPAC name

4-(4-methyl-4H-124-triazol-3-yl)-2-[(345-trimethoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane

SMILES

Cn1c(C(CN(Cc(cc2OC)cc(OC)c2OC)C2)C22CCOCC2)nnc1

InChI

InChI=1S/C21H30N4O4/c1-24-14-22-23-20(24)16-12-25(13-21(16)5-7-29-8-6-21)11-15-9-17(26-2)19(28-4)18(10-15)27-3/h9-10,14,16H,5-8,11-13H2,1-4H3/t16-/m1/s1

InChI Key

OCPSJZNMAHFBOY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32258911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.970

Distribution Coefficient, logD

-3.628

Water Solubility, LogSw

-1.64

Polar Surface Area

59.923

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

12.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SC66-0042 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC66-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0042?
Check Price and Availability of SC66-0042, 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 SC66-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0042
  • 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 SC66-0042 available by request