SC67-1056 Screening compound: 2-benzyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl methyl sulfone

SC67-1056 Screening compound: 2-benzyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl methyl sulfone
SC67-1056 Screening compound: 2-benzyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl methyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC67-1056
2-benzyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl methyl 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

SC67-1056

Molecular Formula

C19H27N5O2S (C19 H27 N5 O2 S)

Compound Name

2-benzyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl methyl sulfone

IUPAC name

2-benzyl-8-methanesulfonyl-4-(4-methyl-4H-124-triazol-3-yl)-28-diazaspiro[4.5]decane

SMILES

Cn1c(C(CN(Cc2ccccc2)C2)C2(CC2)CCN2S(C)(=O)=O)nnc1

InChI

InChI=1S/C19H27N5O2S/c1-22-15-20-21-18(22)17-13-23(12-16-6-4-3-5-7-16)14-19(17)8-10-24(11-9-19)27(2,25)26/h3-7,15,17H,8-14H2,1-2H3/t17-/m1/s1

InChI Key

SXHFIUCYLKPGTO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32258805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.810

Distribution Coefficient, logD

-0.996

Water Solubility, LogSw

-1.98

Polar Surface Area

60.319

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SC67-1056 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 SC67-1056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC67-1056?
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What is the minimum amount of SC67-1056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC67-1056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC67-1056
  • 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 SC67-1056 available by request