SC68-0169 Screening compound: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-butanone

SC68-0169 Screening compound: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-butanone
SC68-0169 Screening compound: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-0169
4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-butanone

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

SC68-0169

Molecular Formula

C24H31N5OS (C24 H31 N5 OS)

Compound Name

4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-butanone

IUPAC name

4-(13-benzothiazol-2-yl)-1-[4-(4-ethyl-4H-124-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one

SMILES

CCn1c(C(CN(C2)C(CCCc3nc(cccc4)c4s3)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C24H31N5OS/c1-2-28-17-25-27-23(28)18-15-29(16-24(18)13-6-3-7-14-24)22(30)12-8-11-21-26-19-9-4-5-10-20(19)31-21/h4-5,9-10,17-18H,2-3,6-8,11-16H2,1H3/t18-/m0/s1

InChI Key

BJOXYQSUBIKEEL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32258928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.471

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-3.67

Polar Surface Area

50.809

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.33

References: we are preparing a list of scientific research reports with SC68-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-0169?
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What is the minimum amount of SC68-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-0169
  • 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 SC68-0169 available by request