ZC45-0100 Screening compound: 2-BENZYL-8-(CYCLOHEXYLMETHYL)-4-(1,3-OXAZOL-2-YL)-2,8-DIAZASPIRO[4.5]DECANE

ZC45-0100 Screening compound: 2-BENZYL-8-(CYCLOHEXYLMETHYL)-4-(1,3-OXAZOL-2-YL)-2,8-DIAZASPIRO[4.5]DECANE
ZC45-0100 Screening compound: 2-BENZYL-8-(CYCLOHEXYLMETHYL)-4-(1,3-OXAZOL-2-YL)-2,8-DIAZASPIRO[4.5]DECANE alternative view

Chemical Structure Depiction of ChemDiv screening compound ZC45-0100
2-BENZYL-8-(CYCLOHEXYLMETHYL)-4-(1,3-OXAZOL-2-YL)-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

ZC45-0100

Molecular Formula

C25H35N3O (C25 H35 N3 O)

Compound Name

2-BENZYL-8-(CYCLOHEXYLMETHYL)-4-(1,3-OXAZOL-2-YL)-2,8-DIAZASPIRO[4.5]DECANE

IUPAC name

2-benzyl-8-(cyclohexylmethyl)-4-(13-oxazol-2-yl)-28-diazaspiro[4.5]decane

SMILES

C(C1CCCCC1)N(CC1)CCC1(CN(Cc1ccccc1)C1)C1c1ncco1

InChI

InChI=1S/C25H35N3O/c1-3-7-21(8-4-1)17-27-14-11-25(12-15-27)20-28(18-22-9-5-2-6-10-22)19-23(25)24-26-13-16-29-24/h2,5-6,9-10,13,16,21,23H,1,3-4,7-8,11-12,14-15,17-20H2/t23-/m1/s1

InChI Key

CTXZQVNTTLSIQV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD31957804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

2.587

Water Solubility, LogSw

-4.37

Polar Surface Area

25.398

Acid Dissociation Constant (pKa)

26.06

Base Dissociation Constant (pKb)

9.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.00

ZC45-0100 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with ZC45-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound ZC45-0100?
Check Price and Availability of ZC45-0100, 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 ZC45-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for ZC45-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for ZC45-0100
  • 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 ZC45-0100 available by request