E003-0807 Screening compound: 1'-methyl-9'-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-8',9'-dihydrospiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

Chemical Structure Depiction of ChemDiv screening compound E003-0807
1'-methyl-9'-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-8',9'-dihydrospiro[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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E003-0807

Molecular Formula

C₂₇H₂₇NO₄ (C27 H27 NO4)

Compound Name

1'-methyl-9'-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-8',9'-dihydrospiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

IUPAC name

3'-methyl-13'-oxo-N-(1234-tetrahydronaphthalen-1-yl)-5'10'-dioxaspiro[cyclopentane-111'-tricyclo[7.4.0.0^{26}]tridecane]-1'3'6'8'-tetraene-4'-carboxamide

SMILES

Cc1c(C(NC(CCC2)c3c2cccc3)=O)oc(cc2)c1c1c2OC2(CCCC2)CC1=O

InChI

InChI=1S/C27H27NO4/c1-16-23-21(11-12-22-24(23)20(29)15-27(32-22)13-4-5-14-27)31-25(16)26(30)28-19-10-6-8-17-7-2-3-9-18(17)19/h2-3,7,9,11-12,19H,4-6,8,10,13-15H2,1H3,(H,28,30)/t19-/m0/s1

InChI Key

MJCBRJDGYYCRNM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14836169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.087

Distribution Coefficient, logD

5.086

Water Solubility, LogSw

-5.19

Polar Surface Area

52.371

Acid Dissociation Constant (pK_a)

10.29

Base Dissociation Constant (pK_b)

-1.40

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

40.70

E003-0807 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

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

GPCR Targeted Library (31838 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)

New Agro Library (44492 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
Cancer
Digestive system
Respiratory tract
Nervous system
Eye
Cardiovascular

Targets:

GPCR
GPCR

Mechanism of action:

Receptor's ligands
PPI modulators
PPI modulators
Receptor's ligands

Structure:

Cyclic compounds
Cyclic compounds

Agro:

Agro

References: we are preparing a list of scientific research reports with E003-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E003-0807?
Check Price and Availability of E003-0807, 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 E003-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for E003-0807
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for E003-0807

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 E003-0807 available by request