E002-0295 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1,7,7-trimethyl-7H-furo[3,2-f]chromene-2-carboxamide

E002-0295 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1,7,7-trimethyl-7H-furo[3,2-f]chromene-2-carboxamide
E002-0295 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1,7,7-trimethyl-7H-furo[3,2-f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0295
N-[2-(3,4-diethoxyphenyl)ethyl]-1,7,7-trimethyl-7H-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

E002-0295

Molecular Formula

C27H31NO5 (C27 H31 NO5)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-1,7,7-trimethyl-7H-furo[3,2-f]chromene-2-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-177-trimethyl-7H-furo[32-f]chromene-2-carboxamide

SMILES

CCOc(ccc(CCNC(c1c(C)c(c2c(cc3)OC(C)(C)C=C2)c3o1)=O)c1)c1OCC

InChI

InChI=1S/C27H31NO5/c1-6-30-21-9-8-18(16-23(21)31-7-2)13-15-28-26(29)25-17(3)24-19-12-14-27(4,5)33-20(19)10-11-22(24)32-25/h8-12,14,16H,6-7,13,15H2,1-5H3,(H,28,29)

InChI Key

QEOYWCFVSFJTIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.632

Distribution Coefficient, logD

4.632

Water Solubility, LogSw

-4.71

Polar Surface Area

53.772

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

E002-0295 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E002-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0295?
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What is the minimum amount of E002-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0295
  • 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 E002-0295 available by request