S971-1007 Screening compound: 3-(3-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-3-oxopropyl)-2,3-dihydro-1,3-benzoxazol-2-one

S971-1007 Screening compound: 3-(3-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-3-oxopropyl)-2,3-dihydro-1,3-benzoxazol-2-one
S971-1007 Screening compound: 3-(3-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-3-oxopropyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-1007
3-(3-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-3-oxopropyl)-2,3-dihydro-1,3-benzoxazol-2-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

S971-1007

Molecular Formula

C18H22N2O4 (C18 H22 N2 O4)

Compound Name

3-(3-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-3-oxopropyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-(3-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-3-oxopropyl)-23-dihydro-13-benzoxazol-2-one

SMILES

OC(CC1)C1(CC1)CCN1C(CCN(c(cccc1)c1O1)C1=O)=O

InChI

InChI=1S/C18H22N2O4/c21-15-5-7-18(15)8-11-19(12-9-18)16(22)6-10-20-13-3-1-2-4-14(13)24-17(20)23/h1-4,15,21H,5-12H2/t15-/m0/s1

InChI Key

SOLTWEOOICGBOS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32231917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.849

Distribution Coefficient, logD

0.849

Water Solubility, LogSw

-1.47

Polar Surface Area

55.305

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S971-1007 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S971-1007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-1007?
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What is the minimum amount of S971-1007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-1007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-1007
  • 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 S971-1007 available by request