SC69-0122 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]-1-propanone

SC69-0122 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]-1-propanone
SC69-0122 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC69-0122
3-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]-1-propanone

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

SC69-0122

Molecular Formula

C21H25N5OS (C21 H25 N5 OS)

Compound Name

3-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]-1-propanone

IUPAC name

3-(13-benzothiazol-2-yl)-1-[4-(4-methyl-4H-124-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one

SMILES

Cn1c(C(C2)C3(CCCC3)CN2C(CCc2nc(cccc3)c3s2)=O)nnc1

InChI

InChI=1S/C21H25N5OS/c1-25-14-22-24-20(25)15-12-26(13-21(15)10-4-5-11-21)19(27)9-8-18-23-16-6-2-3-7-17(16)28-18/h2-3,6-7,14-15H,4-5,8-13H2,1H3/t15-/m0/s1

InChI Key

OZYNNDPFBHREAD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32259551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.330

Distribution Coefficient, logD

2.330

Water Solubility, LogSw

-2.58

Polar Surface Area

52.007

Acid Dissociation Constant (pKa)

23.13

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

SC69-0122 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 SC69-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC69-0122?
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What is the minimum amount of SC69-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC69-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC69-0122
  • 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 SC69-0122 available by request