E766-0095 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

E766-0095 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
E766-0095 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E766-0095
N-(1,3-benzodioxol-5-ylmethyl)-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-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

E766-0095

Molecular Formula

C26H27NO6 (C26 H27 NO6)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-13'-hydroxy-3'-methyl-5'10'-dioxaspiro[cyclohexane-111'-tricyclo[7.4.0.0^{26}]tridecane]-1'3'6'8'-tetraene-4'-carboxamide

SMILES

Cc1c(C(NCc(cc2)cc3c2OCO3)=O)oc(cc2)c1c1c2OC2(CCCCC2)CC1O

InChI

InChI=1S/C26H27NO6/c1-15-22-19(7-8-20-23(22)17(28)12-26(33-20)9-3-2-4-10-26)32-24(15)25(29)27-13-16-5-6-18-21(11-16)31-14-30-18/h5-8,11,17,28H,2-4,9-10,12-14H2,1H3,(H,27,29)/t17-/m0/s1

InChI Key

PKHJGWVLQRVEIN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14917272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.564

Distribution Coefficient, logD

4.564

Water Solubility, LogSw

-4.58

Polar Surface Area

71.645

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

E766-0095 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E766-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E766-0095?
Check Price and Availability of E766-0095, 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 E766-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E766-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E766-0095
  • 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 E766-0095 available by request