S631-0139 Screening compound: 2-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-phenyl-2-azaspiro[3.5]nonan-1-one

S631-0139 Screening compound: 2-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-phenyl-2-azaspiro[3.5]nonan-1-one
S631-0139 Screening compound: 2-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-phenyl-2-azaspiro[3.5]nonan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S631-0139
2-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-phenyl-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

S631-0139

Molecular Formula

C24H29N3O3 (C24 H29 N3 O3)

Compound Name

2-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-phenyl-2-azaspiro[3.5]nonan-1-one

IUPAC name

2-[1-(4-methyl-13-oxazole-5-carbonyl)piperidin-4-yl]-3-phenyl-2-azaspiro[3.5]nonan-1-one

SMILES

Cc1c(C(N(CC2)CCC2N(C(C23CCCCC3)c3ccccc3)C2=O)=O)ocn1

InChI

InChI=1S/C24H29N3O3/c1-17-20(30-16-25-17)22(28)26-14-10-19(11-15-26)27-21(18-8-4-2-5-9-18)24(23(27)29)12-6-3-7-13-24/h2,4-5,8-9,16,19,21H,3,6-7,10-15H2,1H3/t21-/m0/s1

InChI Key

FUXNDAALTQTPIX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31989814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.256

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.18

Polar Surface Area

50.766

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

S631-0139 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 S631-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S631-0139?
Check Price and Availability of S631-0139, 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 S631-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S631-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S631-0139
  • 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 S631-0139 available by request