E526-0668 Screening compound: 1'-METHYL-N-(4-METHYLBENZYL)SPIRO[CYCLOPENTANE-1,7'-FURO[3,2-F]CHROMENE]-2'-CARBOXAMIDE

E526-0668 Screening compound: 1'-METHYL-N-(4-METHYLBENZYL)SPIRO[CYCLOPENTANE-1,7'-FURO[3,2-F]CHROMENE]-2'-CARBOXAMIDE
E526-0668 Screening compound: 1'-METHYL-N-(4-METHYLBENZYL)SPIRO[CYCLOPENTANE-1,7'-FURO[3,2-F]CHROMENE]-2'-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E526-0668
1'-METHYL-N-(4-METHYLBENZYL)SPIRO[CYCLOPENTANE-1,7'-FURO[3,2-F]CHROMENE]-2'-CARBOXAMIDE

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

E526-0668

Molecular Formula

C25H25NO3 (C25 H25 NO3)

Compound Name

1'-METHYL-N-(4-METHYLBENZYL)SPIRO[CYCLOPENTANE-1,7'-FURO[3,2-F]CHROMENE]-2'-CARBOXAMIDE

IUPAC name

1'-methyl-N-[(4-methylphenyl)methyl]spiro[cyclopentane-17'-furo[32-f]chromene]-2'-carboxamide

SMILES

Cc1c(C(NCc2ccc(C)cc2)=O)oc(cc2)c1c1c2OC2(CCCC2)C=C1

InChI

InChI=1S/C25H25NO3/c1-16-5-7-18(8-6-16)15-26-24(27)23-17(2)22-19-11-14-25(12-3-4-13-25)29-20(19)9-10-21(22)28-23/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,26,27)

InChI Key

PVDXPXKYQVMCIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.293

Distribution Coefficient, logD

5.293

Water Solubility, LogSw

-5.45

Polar Surface Area

39.279

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E526-0668 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E526-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E526-0668?
Check Price and Availability of E526-0668, 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 E526-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E526-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E526-0668
  • 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 E526-0668 available by request