SC66-0127 Screening compound: 2-[(4-isopropylphenyl)sulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane

SC66-0127 Screening compound: 2-[(4-isopropylphenyl)sulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane
SC66-0127 Screening compound: 2-[(4-isopropylphenyl)sulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0127
2-[(4-isopropylphenyl)sulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane

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

SC66-0127

Molecular Formula

C20H28N4O3S (C20 H28 N4 O3 S)

Compound Name

2-[(4-isopropylphenyl)sulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1S(N(C1)CC2(CCOCC2)C1c1nncn1C)(=O)=O

InChI

InChI=1S/C20H28N4O3S/c1-15(2)16-4-6-17(7-5-16)28(25,26)24-12-18(19-22-21-14-23(19)3)20(13-24)8-10-27-11-9-20/h4-7,14-15,18H,8-13H2,1-3H3/t18-/m0/s1

InChI Key

XEXJQSNUWJCKCR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32257605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.335

Distribution Coefficient, logD

2.335

Water Solubility, LogSw

-2.74

Polar Surface Area

64.923

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with SC66-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0127?
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What is the minimum amount of SC66-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0127
  • 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 SC66-0127 available by request