SC55-1396 Screening compound: 2-[(2-chlorophenyl)sulfonyl]-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-6-methyl-2,6-diazaspiro[3.4]octane

SC55-1396 Screening compound: 2-[(2-chlorophenyl)sulfonyl]-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-6-methyl-2,6-diazaspiro[3.4]octane
SC55-1396 Screening compound: 2-[(2-chlorophenyl)sulfonyl]-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-6-methyl-2,6-diazaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-1396
2-[(2-chlorophenyl)sulfonyl]-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-6-methyl-2,6-diazaspiro[3.4]octane

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

SC55-1396

Molecular Formula

C18H22ClN5O2S (C18 H22 ClN5 O2 S)

Compound Name

2-[(2-chlorophenyl)sulfonyl]-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-6-methyl-2,6-diazaspiro[3.4]octane

IUPAC name

2-(2-chlorobenzenesulfonyl)-8-(3-cyclopropyl-1H-124-triazol-5-yl)-6-methyl-26-diazaspiro[3.4]octane

SMILES

CN(C1)CC(C2)(CN2S(c(cccc2)c2Cl)(=O)=O)C1c1nc(C2CC2)n[nH]1

InChI

InChI=1S/C18H22ClN5O2S/c1-23-8-13(17-20-16(21-22-17)12-6-7-12)18(9-23)10-24(11-18)27(25,26)15-5-3-2-4-14(15)19/h2-5,12-13H,6-11H2,1H3,(H,20,21,22)/t13-/m1/s1

InChI Key

JZUKTYMIUPFYOJ-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.028

Distribution Coefficient, logD

-2.308

Water Solubility, LogSw

-2.75

Polar Surface Area

69.814

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

11.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

SC55-1396 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with SC55-1396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-1396?
Check Price and Availability of SC55-1396, 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 SC55-1396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-1396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-1396
  • 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 SC55-1396 available by request