4182-0175 Screening compound: methyl 2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

4182-0175 Screening compound: methyl 2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate
4182-0175 Screening compound: methyl 2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4182-0175
methyl 2-[(3-hexyl-4-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

4182-0175

Molecular Formula

C20H26O5 (C20 H26 O5)

Compound Name

methyl 2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

IUPAC name

methyl 2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

SMILES

CCCCCCC1=C(C)c(ccc(OC(C)C(OC)=O)c2)c2OC1=O

InChI

InChI=1S/C20H26O5/c1-5-6-7-8-9-17-13(2)16-11-10-15(12-18(16)25-20(17)22)24-14(3)19(21)23-4/h10-12,14H,5-9H2,1-4H3/t14-/m0/s1

InChI Key

WNTZREHBSYHJTF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02932381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.021

Distribution Coefficient, logD

5.021

Water Solubility, LogSw

-4.85

Polar Surface Area

49.123

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 4182-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4182-0175?
Check Price and Availability of 4182-0175, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4182-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4182-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4182-0175
  • 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 4182-0175 available by request