SC68-1581 Screening compound: 2-[(4-chlorobenzyl)sulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane

SC68-1581 Screening compound: 2-[(4-chlorobenzyl)sulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
SC68-1581 Screening compound: 2-[(4-chlorobenzyl)sulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1581
2-[(4-chlorobenzyl)sulfonyl]-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

SC68-1581

Molecular Formula

C19H25ClN4O2S (C19 H25 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(C(CN(C2)S(Cc(cc3)ccc3Cl)(=O)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C19H25ClN4O2S/c1-23-14-21-22-18(23)17-11-24(13-19(17)9-3-2-4-10-19)27(25,26)12-15-5-7-16(20)8-6-15/h5-8,14,17H,2-4,9-13H2,1H3/t17-/m0/s1

InChI Key

BWEMRDKPEFENCP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32260519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.95

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

2.360

Distribution Coefficient, logD

2.360

Water Solubility, LogSw

-2.97

Polar Surface Area

56.909

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SC68-1581 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 SC68-1581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1581?
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What is the minimum amount of SC68-1581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1581
  • 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 SC68-1581 available by request