SC68-1321 Screening compound: 4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-(2-thienylsulfonyl)-2-azaspiro[4.5]decane

SC68-1321 Screening compound: 4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-(2-thienylsulfonyl)-2-azaspiro[4.5]decane
SC68-1321 Screening compound: 4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-(2-thienylsulfonyl)-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1321
4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-(2-thienylsulfonyl)-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

SC68-1321

Molecular Formula

C18H26N4O2S2 (C18 H26 N4 O2 S2)

Compound Name

4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-(2-thienylsulfonyl)-2-azaspiro[4.5]decane

IUPAC name

4-(4-propyl-4H-124-triazol-3-yl)-2-(thiophene-2-sulfonyl)-2-azaspiro[4.5]decane

SMILES

CCCn1c(C(CN(C2)S(c3cccs3)(=O)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C18H26N4O2S2/c1-2-10-21-14-19-20-17(21)15-12-22(13-18(15)8-4-3-5-9-18)26(23,24)16-7-6-11-25-16/h6-7,11,14-15H,2-5,8-10,12-13H2,1H3/t15-/m0/s1

InChI Key

FTCNVMWRQSKAQW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32260152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.581

Distribution Coefficient, logD

2.581

Water Solubility, LogSw

-2.70

Polar Surface Area

57.456

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SC68-1321 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC68-1321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1321?
Check Price and Availability of SC68-1321, 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 SC68-1321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1321
  • 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 SC68-1321 available by request