Z274-0478 Screening compound: ethyl 2-(2H-1,3-benzodioxol-5-yl)-4-(3-ethoxy-2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-ene-9-carboxylate

Z274-0478 Screening compound: ethyl 2-(2H-1,3-benzodioxol-5-yl)-4-(3-ethoxy-2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-ene-9-carboxylate
Z274-0478 Screening compound: ethyl 2-(2H-1,3-benzodioxol-5-yl)-4-(3-ethoxy-2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-ene-9-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Z274-0478
ethyl 2-(2H-1,3-benzodioxol-5-yl)-4-(3-ethoxy-2-hydroxyphenyl)-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

Z274-0478

Molecular Formula

C26H31N3O6 (C26 H31 N3 O6)

Compound Name

ethyl 2-(2H-1,3-benzodioxol-5-yl)-4-(3-ethoxy-2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-ene-9-carboxylate

IUPAC name

ethyl 2-(2H-13-benzodioxol-5-yl)-4-(3-ethoxy-2-hydroxyphenyl)-159-triazaspiro[5.5]undec-1-ene-9-carboxylate

SMILES

CCOC(N(CC1)CCC1(NC(C1)c(cccc2OCC)c2O)N=C1c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C26H31N3O6/c1-3-32-22-7-5-6-18(24(22)30)20-15-19(17-8-9-21-23(14-17)35-16-34-21)27-26(28-20)10-12-29(13-11-26)25(31)33-4-2/h5-9,14,20,28,30H,3-4,10-13,15-16H2,1-2H3/t20-/m1/s1

InChI Key

LDKCCGKCGHCEGH-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27637813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.081

Distribution Coefficient, logD

3.415

Water Solubility, LogSw

-4.05

Polar Surface Area

83.564

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

Z274-0478 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Eccentric PPI Library (11937 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Z274-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z274-0478?
Check Price and Availability of Z274-0478, 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 Z274-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z274-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z274-0478
  • 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 Z274-0478 available by request