Z274-0546 Screening compound: ethyl 2-(5-chloro-2-hydroxyphenyl)-4-phenyl-1,5,9-triazaspiro[5.5]undec-1-ene-9-carboxylate

Z274-0546 Screening compound: ethyl 2-(5-chloro-2-hydroxyphenyl)-4-phenyl-1,5,9-triazaspiro[5.5]undec-1-ene-9-carboxylate
Z274-0546 Screening compound: ethyl 2-(5-chloro-2-hydroxyphenyl)-4-phenyl-1,5,9-triazaspiro[5.5]undec-1-ene-9-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Z274-0546
ethyl 2-(5-chloro-2-hydroxyphenyl)-4-phenyl-1,5,9-triazaspiro[5.5]undec-1-ene-9-carboxylate

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

Z274-0546

Molecular Formula

C23H26ClN3O3 (C23 H26 ClN3 O3)

Compound Name

ethyl 2-(5-chloro-2-hydroxyphenyl)-4-phenyl-1,5,9-triazaspiro[5.5]undec-1-ene-9-carboxylate

IUPAC name

ethyl 2-(5-chloro-2-hydroxyphenyl)-4-phenyl-159-triazaspiro[5.5]undec-1-ene-9-carboxylate

SMILES

CCOC(N(CC1)CCC1(NC(C1)c2ccccc2)N=C1c(cc(cc1)Cl)c1O)=O

InChI

InChI=1S/C23H26ClN3O3/c1-2-30-22(29)27-12-10-23(11-13-27)25-19(16-6-4-3-5-7-16)15-20(26-23)18-14-17(24)8-9-21(18)28/h3-9,14,19,25,28H,2,10-13,15H2,1H3/t19-/m1/s1

InChI Key

CMTNBRUOHZKURO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27637823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.939

Distribution Coefficient, logD

4.876

Water Solubility, LogSw

-4.57

Polar Surface Area

60.307

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

Z274-0546 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Eccentric PPI Library (11937 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Z274-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z274-0546?
Check Price and Availability of Z274-0546, 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 Z274-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z274-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z274-0546
  • 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 Z274-0546 available by request