4182-0310 Screening compound: 3-benzyl-5-ethoxy-4,7-dimethyl-2H-chromen-2-one

4182-0310 Screening compound: 3-benzyl-5-ethoxy-4,7-dimethyl-2H-chromen-2-one
4182-0310 Screening compound: 3-benzyl-5-ethoxy-4,7-dimethyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4182-0310
3-benzyl-5-ethoxy-4,7-dimethyl-2H-chromen-2-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

4182-0310

Molecular Formula

C20H20O3 (C20 H20 O3)

Compound Name

3-benzyl-5-ethoxy-4,7-dimethyl-2H-chromen-2-one

IUPAC name

3-benzyl-5-ethoxy-47-dimethyl-2H-chromen-2-one

SMILES

CCOc1cc(C)cc(O2)c1C(C)=C(Cc1ccccc1)C2=O

InChI

InChI=1S/C20H20O3/c1-4-22-17-10-13(2)11-18-19(17)14(3)16(20(21)23-18)12-15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3

InChI Key

NRYZWWROIIUAFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02920726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.998

Distribution Coefficient, logD

4.998

Water Solubility, LogSw

-4.92

Polar Surface Area

28.099

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4182-0310 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • 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 4182-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4182-0310?
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What is the minimum amount of 4182-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4182-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4182-0310
  • 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 4182-0310 available by request