S971-0523 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}propan-1-one

S971-0523 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}propan-1-one
S971-0523 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-0523
3-(1,3-benzothiazol-2-yl)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}propan-1-one

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

S971-0523

Molecular Formula

C18H22N2O2S (C18 H22 N2 O2 S)

Compound Name

3-(1,3-benzothiazol-2-yl)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}propan-1-one

IUPAC name

3-(13-benzothiazol-2-yl)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}propan-1-one

SMILES

OC(CC1)C1(CC1)CCN1C(CCc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C18H22N2O2S/c21-15-7-8-18(15)9-11-20(12-10-18)17(22)6-5-16-19-13-3-1-2-4-14(13)23-16/h1-4,15,21H,5-12H2/t15-/m0/s1

InChI Key

DZJHHUIYZLWCLY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32231703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.059

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-2.32

Polar Surface Area

42.442

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S971-0523 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S971-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-0523?
Check Price and Availability of S971-0523, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S971-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-0523
  • 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 S971-0523 available by request