ZC45-0680 Screening compound: 8-benzyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(1-methyl-1H-pyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decane

ZC45-0680 Screening compound: 8-benzyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(1-methyl-1H-pyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decane
ZC45-0680 Screening compound: 8-benzyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(1-methyl-1H-pyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound ZC45-0680
8-benzyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(1-methyl-1H-pyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decane

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

ZC45-0680

Molecular Formula

C23H28N6O2 (C23 H28 N6 O2)

Compound Name

8-benzyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(1-methyl-1H-pyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decane

IUPAC name

8-benzyl-4-(5-methyl-134-oxadiazol-2-yl)-2-(1-methyl-1H-pyrazole-4-carbonyl)-28-diazaspiro[4.5]decane

SMILES

Cc1nnc(C(CN(C2)C(c3cn(C)nc3)=O)C22CCN(Cc3ccccc3)CC2)o1

InChI

InChI=1S/C23H28N6O2/c1-17-25-26-21(31-17)20-15-29(22(30)19-12-24-27(2)14-19)16-23(20)8-10-28(11-9-23)13-18-6-4-3-5-7-18/h3-7,12,14,20H,8-11,13,15-16H2,1-2H3/t20-/m0/s1

InChI Key

JGIJAWJSXBKLTB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31955708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.031

Distribution Coefficient, logD

-0.059

Water Solubility, LogSw

-1.56

Polar Surface Area

65.133

Acid Dissociation Constant (pKa)

25.32

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

ZC45-0680 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)

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
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with ZC45-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound ZC45-0680?
Check Price and Availability of ZC45-0680, 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 ZC45-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for ZC45-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for ZC45-0680
  • 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 ZC45-0680 available by request