SC67-0687 Screening compound: 5-chloro-2-thienyl [2-methyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl] sulfone

SC67-0687 Screening compound: 5-chloro-2-thienyl [2-methyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl] sulfone
SC67-0687 Screening compound: 5-chloro-2-thienyl [2-methyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC67-0687
5-chloro-2-thienyl [2-methyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-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

SC67-0687

Molecular Formula

C18H26ClN5O2S2 (C18 H26 ClN5 O2 S2)

Compound Name

5-chloro-2-thienyl [2-methyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl] sulfone

IUPAC name

8-[(5-chlorothiophen-2-yl)sulfonyl]-2-methyl-4-(4-propyl-4H-124-triazol-3-yl)-28-diazaspiro[4.5]decane

SMILES

CCCn1c(C(CN(C)C2)C2(CC2)CCN2S(c(s2)ccc2Cl)(=O)=O)nnc1

InChI

InChI=1S/C18H26ClN5O2S2/c1-3-8-23-13-20-21-17(23)14-11-22(2)12-18(14)6-9-24(10-7-18)28(25,26)16-5-4-15(19)27-16/h4-5,13-14H,3,6-12H2,1-2H3/t14-/m1/s1

InChI Key

DIXJXPDPFBHIMG-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.144

Distribution Coefficient, logD

-0.728

Water Solubility, LogSw

-2.74

Polar Surface Area

60.932

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

10.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SC67-0687 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC67-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC67-0687?
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What is the minimum amount of SC67-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC67-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC67-0687
  • 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 SC67-0687 available by request