SC69-0083 Screening compound: 4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl (8-quinolyl) sulfone

SC69-0083 Screening compound: 4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl (8-quinolyl) sulfone
SC69-0083 Screening compound: 4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl (8-quinolyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC69-0083
4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl (8-quinolyl) 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

SC69-0083

Molecular Formula

C20H23N5O2S (C20 H23 N5 O2 S)

Compound Name

4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl (8-quinolyl) sulfone

IUPAC name

8-{[4-(4-methyl-4H-124-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]sulfonyl}quinoline

SMILES

Cn1c(C(C2)C3(CCCC3)CN2S(c2cccc3cccnc23)(=O)=O)nnc1

InChI

InChI=1S/C20H23N5O2S/c1-24-14-22-23-19(24)16-12-25(13-20(16)9-2-3-10-20)28(26,27)17-8-4-6-15-7-5-11-21-18(15)17/h4-8,11,14,16H,2-3,9-10,12-13H2,1H3/t16-/m0/s1

InChI Key

LBPAZSPCPFVPMJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32259306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.371

Distribution Coefficient, logD

1.371

Water Solubility, LogSw

-2.18

Polar Surface Area

66.914

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

SC69-0083 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 SC69-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC69-0083?
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What is the minimum amount of SC69-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC69-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC69-0083
  • 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 SC69-0083 available by request