3330-4157 Screening compound: methyl 2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]propanoate

3330-4157 Screening compound: methyl 2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]propanoate
3330-4157 Screening compound: methyl 2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-4157
methyl 2-[(2-oxo-4-propyl-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

3330-4157

Molecular Formula

C16H18O5 (C16 H18 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCC(c(ccc(OC(C)C(OC)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C16H18O5/c1-4-5-11-8-15(17)21-14-9-12(6-7-13(11)14)20-10(2)16(18)19-3/h6-10H,4-5H2,1-3H3/t10-/m0/s1

InChI Key

JNLXHIXKUMFWEV-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01548406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.808

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.24

Polar Surface Area

48.609

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

3330-4157 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3330-4157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-4157?
Check Price and Availability of 3330-4157, 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 3330-4157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-4157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-4157
  • 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 3330-4157 available by request