S631-0807 Screening compound: 2-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-3-(pyridin-4-yl)-2-azaspiro[3.5]nonan-1-one

S631-0807 Screening compound: 2-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-3-(pyridin-4-yl)-2-azaspiro[3.5]nonan-1-one
S631-0807 Screening compound: 2-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-3-(pyridin-4-yl)-2-azaspiro[3.5]nonan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S631-0807
2-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-3-(pyridin-4-yl)-2-azaspiro[3.5]nonan-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

S631-0807

Molecular Formula

C24H30N4O2 (C24 H30 N4 O2)

Compound Name

2-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-3-(pyridin-4-yl)-2-azaspiro[3.5]nonan-1-one

IUPAC name

2-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-3-(pyridin-4-yl)-2-azaspiro[3.5]nonan-1-one

SMILES

Cn1c(C(N(CC2)CCC2N(C(C23CCCCC3)c3ccncc3)C2=O)=O)ccc1

InChI

InChI=1S/C24H30N4O2/c1-26-15-5-6-20(26)22(29)27-16-9-19(10-17-27)28-21(18-7-13-25-14-8-18)24(23(28)30)11-3-2-4-12-24/h5-8,13-15,19,21H,2-4,9-12,16-17H2,1H3/t21-/m0/s1

InChI Key

GLFBLOMDKARFNH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31984261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.34

Polar Surface Area

43.697

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

S631-0807 in Drug Discovery

Included in Screening Libraries

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

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S631-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S631-0807?
Check Price and Availability of S631-0807, 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 S631-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S631-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S631-0807
  • 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 S631-0807 available by request