3330-4451 Screening compound: ethyl 2-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

3330-4451 Screening compound: ethyl 2-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate
3330-4451 Screening compound: ethyl 2-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-4451
ethyl 2-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

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

3330-4451

Molecular Formula

C18H16O5 (C18 H16 O5)

Compound Name

ethyl 2-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

IUPAC name

ethyl 2-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

SMILES

CCOC(COc(cc1)c(C)c(O2)c1-c(cccc1)c1C2=O)=O

InChI

InChI=1S/C18H16O5/c1-3-21-16(19)10-22-15-9-8-13-12-6-4-5-7-14(12)18(20)23-17(13)11(15)2/h4-9H,3,10H2,1-2H3

InChI Key

MXFMRWMPMQIOSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.990

Distribution Coefficient, logD

2.990

Water Solubility, LogSw

-3.65

Polar Surface Area

48.317

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3330-4451 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3330-4451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-4451?
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What is the minimum amount of 3330-4451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-4451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-4451
  • 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 3330-4451 available by request