S664-4909 Screening compound: 7-(1-ethyl-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol

S664-4909 Screening compound: 7-(1-ethyl-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol
S664-4909 Screening compound: 7-(1-ethyl-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-4909
7-(1-ethyl-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl)-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

S664-4909

Molecular Formula

C22H28N2O2 (C22 H28 N2 O2)

Compound Name

7-(1-ethyl-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol

IUPAC name

7-(1-ethyl-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol

SMILES

CCn1c(-c2ccccc2)cc(C(N(CC2)CCC2(CC2)C2O)=O)c1C

InChI

InChI=1S/C22H28N2O2/c1-3-24-16(2)18(15-19(24)17-7-5-4-6-8-17)21(26)23-13-11-22(12-14-23)10-9-20(22)25/h4-8,15,20,25H,3,9-14H2,1-2H3/t20-/m0/s1

InChI Key

UPCROUXVVZDRRA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30466038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.968

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.26

Polar Surface Area

33.430

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S664-4909 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S664-4909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-4909?
Check Price and Availability of S664-4909, 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 S664-4909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-4909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-4909
  • 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 S664-4909 available by request