P906-0300 Screening compound: 1,3-benzodioxol-5-yl[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]methanone

P906-0300 Screening compound: 1,3-benzodioxol-5-yl[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]methanone
P906-0300 Screening compound: 1,3-benzodioxol-5-yl[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P906-0300
1,3-benzodioxol-5-yl[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]methanone

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

P906-0300

Molecular Formula

C22H26N4O4 (C22 H26 N4 O4)

Compound Name

1,3-benzodioxol-5-yl[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]methanone

IUPAC name

8-(2H-13-benzodioxole-5-carbonyl)-4-(3-cyclopropyl-124-oxadiazol-5-yl)-2-methyl-28-diazaspiro[4.5]decane

SMILES

CN(C1)CC(CC2)(CCN2C(c(cc2)cc3c2OCO3)=O)C1c1nc(C2CC2)no1

InChI

InChI=1S/C22H26N4O4/c1-25-11-16(20-23-19(24-30-20)14-2-3-14)22(12-25)6-8-26(9-7-22)21(27)15-4-5-17-18(10-15)29-13-28-17/h4-5,10,14,16H,2-3,6-9,11-13H2,1H3/t16-/m1/s1

InChI Key

CJXSJYCTIAPKFM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29028321

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.259

Distribution Coefficient, logD

-1.255

Water Solubility, LogSw

-2.87

Polar Surface Area

69.561

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

10.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

P906-0300 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)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P906-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P906-0300?
Check Price and Availability of P906-0300, 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 P906-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P906-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P906-0300
  • 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 P906-0300 available by request