4182-0099 Screening compound: ethyl 2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

4182-0099 Screening compound: ethyl 2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate
4182-0099 Screening compound: ethyl 2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4182-0099
ethyl 2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

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

4182-0099

Molecular Formula

C19H24O5 (C19 H24 O5)

Compound Name

ethyl 2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

IUPAC name

ethyl 2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

SMILES

CCCCC(c(ccc(OC(C)C(OCC)=O)c1C)c1O1)=CC1=O

InChI

InChI=1S/C19H24O5/c1-5-7-8-14-11-17(20)24-18-12(3)16(10-9-15(14)18)23-13(4)19(21)22-6-2/h9-11,13H,5-8H2,1-4H3/t13-/m0/s1

InChI Key

QHVWGEHTNJBLGW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02921502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.39

Polar Surface Area

47.959

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with 4182-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4182-0099?
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What is the minimum amount of 4182-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4182-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4182-0099
  • 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 4182-0099 available by request