5556-0157 Screening compound: 2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate

5556-0157 Screening compound: 2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate
5556-0157 Screening compound: 2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5556-0157
2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate

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

5556-0157

Molecular Formula

C19H16O7 (C19 H16 O7)

Compound Name

2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate

IUPAC name

2-oxo-2H-chromen-4-yl 345-trimethoxybenzoate

SMILES

COc1cc(C(OC(c(cccc2)c2O2)=CC2=O)=O)cc(OC)c1OC

InChI

InChI=1S/C19H16O7/c1-22-15-8-11(9-16(23-2)18(15)24-3)19(21)26-14-10-17(20)25-13-7-5-4-6-12(13)14/h4-10H,1-3H3

InChI Key

BXYFAOONLDZMEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03660258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.99

Polar Surface Area

63.692

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

5556-0157 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5556-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5556-0157?
Check Price and Availability of 5556-0157, 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 5556-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5556-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5556-0157
  • 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 5556-0157 available by request