SC68-1148 Screening compound: 2,3-dihydro-1H-inden-5-yl [4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl] sulfone

SC68-1148 Screening compound: 2,3-dihydro-1H-inden-5-yl [4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl] sulfone
SC68-1148 Screening compound: 2,3-dihydro-1H-inden-5-yl [4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1148
2,3-dihydro-1H-inden-5-yl [4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl] 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

SC68-1148

Molecular Formula

C23H32N4O2S (C23 H32 N4 O2 S)

Compound Name

2,3-dihydro-1H-inden-5-yl [4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl] sulfone

IUPAC name

2-(23-dihydro-1H-indene-5-sulfonyl)-4-[4-(propan-2-yl)-4H-124-triazol-3-yl]-2-azaspiro[4.5]decane

SMILES

CC(C)n1c(C(CN(C2)S(c3cc(CCC4)c4cc3)(=O)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C23H32N4O2S/c1-17(2)27-16-24-25-22(27)21-14-26(15-23(21)11-4-3-5-12-23)30(28,29)20-10-9-18-7-6-8-19(18)13-20/h9-10,13,16-17,21H,3-8,11-12,14-15H2,1-2H3/t21-/m0/s1

InChI Key

CYRHMOYKHXYHQI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32257385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.05

Polar Surface Area

57.537

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.22

SC68-1148 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SC68-1148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1148?
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What is the minimum amount of SC68-1148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1148
  • 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 SC68-1148 available by request