SC68-2062 Screening compound: 3,5-dimethyl-4-isoxazolyl [4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl] sulfone

SC68-2062 Screening compound: 3,5-dimethyl-4-isoxazolyl [4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl] sulfone
SC68-2062 Screening compound: 3,5-dimethyl-4-isoxazolyl [4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-2062
3,5-dimethyl-4-isoxazolyl [4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl] sulfone

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

SC68-2062

Molecular Formula

C20H31N5O3S (C20 H31 N5 O3 S)

Compound Name

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

IUPAC name

2-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-4-[4-(2-methylpropyl)-4H-124-triazol-3-yl]-2-azaspiro[4.5]decane

SMILES

CC(C)Cn1c(C(CN(C2)S(c3c(C)onc3C)(=O)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C20H31N5O3S/c1-14(2)10-24-13-21-22-19(24)17-11-25(12-20(17)8-6-5-7-9-20)29(26,27)18-15(3)23-28-16(18)4/h13-14,17H,5-12H2,1-4H3/t17-/m0/s1

InChI Key

NAXSFNUTUQYRGR-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

2.136

Water Solubility, LogSw

-2.06

Polar Surface Area

78.497

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

SC68-2062 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC68-2062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-2062?
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What is the minimum amount of SC68-2062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-2062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-2062
  • 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 SC68-2062 available by request