S971-0041 Screening compound: 7-[5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol

S971-0041 Screening compound: 7-[5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol
S971-0041 Screening compound: 7-[5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-0041
7-[5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol

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

S971-0041

Molecular Formula

C22H27FN2O2 (C22 H27 FN2 O2)

Compound Name

7-[5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol

IUPAC name

7-[5-(4-fluorophenyl)-12-dimethyl-1H-pyrrole-3-carbonyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol

SMILES

CC(CC1)(C1(CC1)CCN1C(c1c(C)n(C)c(-c(cc2)ccc2F)c1)=O)O

InChI

InChI=1S/C22H27FN2O2/c1-15-18(14-19(24(15)3)16-4-6-17(23)7-5-16)20(26)25-12-10-22(11-13-25)9-8-21(22,2)27/h4-7,14,27H,8-13H2,1-3H3/t21-/m0/s1

InChI Key

NPQHRBVORJQMKP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32230994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.22

Polar Surface Area

34.224

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S971-0041 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S971-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-0041?
Check Price and Availability of S971-0041, 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 S971-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-0041
  • 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 S971-0041 available by request