SC66-0203 Screening compound: 1-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-(4-methoxyphenyl)-1-ethanone

SC66-0203 Screening compound: 1-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-(4-methoxyphenyl)-1-ethanone
SC66-0203 Screening compound: 1-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-(4-methoxyphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0203
1-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-(4-methoxyphenyl)-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

SC66-0203

Molecular Formula

C23H32N4O3 (C23 H32 N4 O3)

Compound Name

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

IUPAC name

2-(4-methoxyphenyl)-1-{4-[4-(2-methylpropyl)-4H-124-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one

SMILES

CC(C)Cn1c(C(CN(C2)C(Cc(cc3)ccc3OC)=O)C22CCOCC2)nnc1

InChI

InChI=1S/C23H32N4O3/c1-17(2)13-27-16-24-25-22(27)20-14-26(15-23(20)8-10-30-11-9-23)21(28)12-18-4-6-19(29-3)7-5-18/h4-7,16-17,20H,8-15H2,1-3H3/t20-/m0/s1

InChI Key

SILVRVLFTIJBLE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32258203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

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

2.327

Distribution Coefficient, logD

2.327

Water Solubility, LogSw

-2.47

Polar Surface Area

56.321

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

SC66-0203 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 SC66-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0203?
Check Price and Availability of SC66-0203, 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 SC66-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0203
  • 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 SC66-0203 available by request