ZC45-0549 Screening compound: 2-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-8-(oxane-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one

ZC45-0549 Screening compound: 2-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-8-(oxane-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one
ZC45-0549 Screening compound: 2-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-8-(oxane-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound ZC45-0549
2-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-8-(oxane-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-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

ZC45-0549

Molecular Formula

C21H32N4O4 (C21 H32 N4 O4)

Compound Name

2-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-8-(oxane-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one

IUPAC name

2-methyl-1-[4-(5-methyl-134-oxadiazol-2-yl)-8-(oxane-4-carbonyl)-28-diazaspiro[4.5]decan-2-yl]propan-1-one

SMILES

CC(C)C(N(C1)CC(CC2)(CCN2C(C2CCOCC2)=O)C1c1nnc(C)o1)=O

InChI

InChI=1S/C21H32N4O4/c1-14(2)19(26)25-12-17(18-23-22-15(3)29-18)21(13-25)6-8-24(9-7-21)20(27)16-4-10-28-11-5-16/h14,16-17H,4-13H2,1-3H3/t17-/m1/s1

InChI Key

VUJHJBGZCJBMJM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31956914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.855

Distribution Coefficient, logD

0.855

Water Solubility, LogSw

-0.55

Polar Surface Area

71.612

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.95

ZC45-0549 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 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

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with ZC45-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound ZC45-0549?
Check Price and Availability of ZC45-0549, 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 ZC45-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for ZC45-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for ZC45-0549
  • 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 ZC45-0549 available by request