SC66-0094 Screening compound: 4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-(8-quinolylsulfonyl)-8-oxa-2-azaspiro[4.5]decane

SC66-0094 Screening compound: 4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-(8-quinolylsulfonyl)-8-oxa-2-azaspiro[4.5]decane
SC66-0094 Screening compound: 4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-(8-quinolylsulfonyl)-8-oxa-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0094
4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-(8-quinolylsulfonyl)-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

SC66-0094

Molecular Formula

C20H23N5O3S (C20 H23 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(C(CN(C2)S(c3cccc4cccnc34)(=O)=O)C22CCOCC2)nnc1

InChI

InChI=1S/C20H23N5O3S/c1-24-14-22-23-19(24)16-12-25(13-20(16)7-10-28-11-8-20)29(26,27)17-6-2-4-15-5-3-9-21-18(15)17/h2-6,9,14,16H,7-8,10-13H2,1H3/t16-/m0/s1

InChI Key

MEAHZILSFKMGHQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32259269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.721

Distribution Coefficient, logD

0.721

Water Solubility, LogSw

-2.01

Polar Surface Area

74.457

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

SC66-0094 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC66-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0094?
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What is the minimum amount of SC66-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0094
  • 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 SC66-0094 available by request