SC68-0094 Screening compound: 2-(isopropylsulfonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane

SC68-0094 Screening compound: 2-(isopropylsulfonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
SC68-0094 Screening compound: 2-(isopropylsulfonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-0094
2-(isopropylsulfonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-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

SC68-0094

Molecular Formula

C15H26N4O2S (C15 H26 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)S(N(C1)CC2(CCCCC2)C1c1nncn1C)(=O)=O

InChI

InChI=1S/C15H26N4O2S/c1-12(2)22(20,21)19-9-13(14-17-16-11-18(14)3)15(10-19)7-5-4-6-8-15/h11-13H,4-10H2,1-3H3/t13-/m0/s1

InChI Key

OKNXJLWLNLQUTC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32258213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.341

Distribution Coefficient, logD

1.341

Water Solubility, LogSw

-1.60

Polar Surface Area

57.286

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

86.67

References: we are preparing a list of scientific research reports with SC68-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-0094?
Check Price and Availability of SC68-0094, 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 SC68-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-0094
  • 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 SC68-0094 available by request