E003-0234 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

E003-0234 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
E003-0234 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E003-0234
N-{2-[ethyl(phenyl)amino]ethyl}-1'-methyl-9'-oxo-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

E003-0234

Molecular Formula

C28H32N2O4 (C28 H32 N2 O4)

Compound Name

N-{2-[ethyl(phenyl)amino]ethyl}-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

IUPAC name

N-{2-[ethyl(phenyl)amino]ethyl}-3'-methyl-13'-oxo-5'10'-dioxaspiro[cyclohexane-111'-tricyclo[7.4.0.0^{26}]tridecane]-1'3'6'8'-tetraene-4'-carboxamide

SMILES

CCN(CCNC(c1c(C)c(c2c(cc3)OC4(CCCCC4)CC2=O)c3o1)=O)c1ccccc1

InChI

InChI=1S/C28H32N2O4/c1-3-30(20-10-6-4-7-11-20)17-16-29-27(32)26-19(2)24-22(33-26)12-13-23-25(24)21(31)18-28(34-23)14-8-5-9-15-28/h4,6-7,10-13H,3,5,8-9,14-18H2,1-2H3,(H,29,32)

InChI Key

MINHSDFFDYPCAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.048

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-4.87

Polar Surface Area

54.993

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

E003-0234 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E003-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E003-0234?
Check Price and Availability of E003-0234, 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 E003-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E003-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E003-0234
  • 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 E003-0234 available by request