3330-4129 Screening compound: ethyl 2-[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate

3330-4129 Screening compound: ethyl 2-[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate
3330-4129 Screening compound: ethyl 2-[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-4129
ethyl 2-[(6-chloro-4-methyl-2-oxo-2H-chromen-7-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

3330-4129

Molecular Formula

C14H13ClO5 (C14 H13 ClO5)

Compound Name

ethyl 2-[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate

IUPAC name

ethyl 2-[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate

SMILES

CCOC(COc(cc(c(C(C)=C1)c2)OC1=O)c2Cl)=O

InChI

InChI=1S/C14H13ClO5/c1-3-18-14(17)7-19-12-6-11-9(5-10(12)15)8(2)4-13(16)20-11/h4-6H,3,7H2,1-2H3

InChI Key

YRVQICOQLFLKHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01555369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.71

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

2.771

Distribution Coefficient, logD

2.771

Water Solubility, LogSw

-3.39

Polar Surface Area

48.390

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3330-4129 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3330-4129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-4129?
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What is the minimum amount of 3330-4129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-4129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-4129
  • 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 3330-4129 available by request