E003-0009 Screening compound: 2'-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1'-methylspiro[cyclohexane-1,7'-furo[3,2-f]chromen]-9'(8'H)-one

E003-0009 Screening compound: 2'-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1'-methylspiro[cyclohexane-1,7'-furo[3,2-f]chromen]-9'(8'H)-one
E003-0009 Screening compound: 2'-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1'-methylspiro[cyclohexane-1,7'-furo[3,2-f]chromen]-9'(8'H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E003-0009
2'-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1'-methylspiro[cyclohexane-1,7'-furo[3,2-f]chromen]-9'(8'H)-one

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

E003-0009

Molecular Formula

C26H25NO4 (C26 H25 NO4)

Compound Name

2'-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1'-methylspiro[cyclohexane-1,7'-furo[3,2-f]chromen]-9'(8'H)-one

IUPAC name

4'-(23-dihydro-1H-indole-1-carbonyl)-3'-methyl-5'10'-dioxaspiro[cyclohexane-111'-tricyclo[7.4.0.0^{26}]tridecane]-1'3'6'8'-tetraen-13'-one

SMILES

Cc1c(C(N(CC2)c3c2cccc3)=O)oc(cc2)c1c1c2OC2(CCCCC2)CC1=O

InChI

InChI=1S/C26H25NO4/c1-16-22-20(30-24(16)25(29)27-14-11-17-7-3-4-8-18(17)27)9-10-21-23(22)19(28)15-26(31-21)12-5-2-6-13-26/h3-4,7-10H,2,5-6,11-15H2,1H3

InChI Key

CQFVZLQDPBDVHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.043

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-4.91

Polar Surface Area

43.427

Acid Dissociation Constant (pKa)

20.16

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

E003-0009 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)

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
  • 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

References: we are preparing a list of scientific research reports with E003-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E003-0009?
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What is the minimum amount of E003-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E003-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E003-0009
  • 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 E003-0009 available by request