E003-0378 Screening compound: ethyl 4-{[(1',4-dimethyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromen]-2'-yl)carbonyl]amino}benzoate

E003-0378 Screening compound: ethyl 4-{[(1',4-dimethyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromen]-2'-yl)carbonyl]amino}benzoate
E003-0378 Screening compound: ethyl 4-{[(1',4-dimethyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromen]-2'-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E003-0378
ethyl 4-{[(1',4-dimethyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromen]-2'-yl)carbonyl]amino}benzoate

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

E003-0378

Molecular Formula

C28H29NO6 (C28 H29 NO6)

Compound Name

ethyl 4-{[(1',4-dimethyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromen]-2'-yl)carbonyl]amino}benzoate

IUPAC name

ethyl 4-({3'4-dimethyl-13'-oxo-5'10'-dioxaspiro[cyclohexane-111'-tricyclo[7.4.0.0^{26}]tridecane]-1'3'6'8'-tetraen-4'-yl}amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1c(C)c(c2c(cc3)OC4(CCC(C)CC4)CC2=O)c3o1)=O)=O

InChI

InChI=1S/C28H29NO6/c1-4-33-27(32)18-5-7-19(8-6-18)29-26(31)25-17(3)23-21(34-25)9-10-22-24(23)20(30)15-28(35-22)13-11-16(2)12-14-28/h5-10,16H,4,11-15H2,1-3H3,(H,29,31)

InChI Key

MFEOVIGSIYHYJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.103

Distribution Coefficient, logD

6.094

Water Solubility, LogSw

-5.99

Polar Surface Area

71.593

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

E003-0378 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 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:
  • Antiviral
  • Infections
  • Immune system
  • 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 E003-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E003-0378?
Check Price and Availability of E003-0378, 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 E003-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E003-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E003-0378
  • 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 E003-0378 available by request