SC68-1742 Screening compound: 2-[(4-chlorobenzyl)sulfonyl]-4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decane

SC68-1742 Screening compound: 2-[(4-chlorobenzyl)sulfonyl]-4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decane
SC68-1742 Screening compound: 2-[(4-chlorobenzyl)sulfonyl]-4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1742
2-[(4-chlorobenzyl)sulfonyl]-4-[4-(cyclopropylmethyl)-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

SC68-1742

Molecular Formula

C22H29ClN4O2S (C22 H29 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=S(Cc(cc1)ccc1Cl)(N(C1)CC2(CCCCC2)C1c1nncn1CC1CC1)=O

InChI

InChI=1S/C22H29ClN4O2S/c23-19-8-6-18(7-9-19)14-30(28,29)27-13-20(22(15-27)10-2-1-3-11-22)21-25-24-16-26(21)12-17-4-5-17/h6-9,16-17,20H,1-5,10-15H2/t20-/m0/s1

InChI Key

JAVZMBSBBKIQPI-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.282

Distribution Coefficient, logD

3.282

Water Solubility, LogSw

-3.65

Polar Surface Area

56.605

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

References: we are preparing a list of scientific research reports with SC68-1742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1742?
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What is the minimum amount of SC68-1742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1742
  • 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 SC68-1742 available by request