0908-0058 Screening compound: 8-(chloromethyl)-7-methoxy-4-oxo-4H-chromene-2-carboxylic acid

0908-0058 Screening compound: 8-(chloromethyl)-7-methoxy-4-oxo-4H-chromene-2-carboxylic acid
0908-0058 Screening compound: 8-(chloromethyl)-7-methoxy-4-oxo-4H-chromene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0908-0058
8-(chloromethyl)-7-methoxy-4-oxo-4H-chromene-2-carboxylic acid

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

0908-0058

Molecular Formula

C12H9ClO5 (C12 H9 ClO5)

Compound Name

8-(chloromethyl)-7-methoxy-4-oxo-4H-chromene-2-carboxylic acid

IUPAC name

8-(chloromethyl)-7-methoxy-4-oxo-4H-chromene-2-carboxylic acid

SMILES

COc1ccc(C(C=C(C(O)=O)O2)=O)c2c1CCl

InChI

InChI=1S/C12H9ClO5/c1-17-9-3-2-6-8(14)4-10(12(15)16)18-11(6)7(9)5-13/h2-4H,5H2,1H3,(H,15,16)

InChI Key

JOHKGHHWPZDVEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00442990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.926

Distribution Coefficient, logD

-1.502

Water Solubility, LogSw

-2.51

Polar Surface Area

57.780

Acid Dissociation Constant (pKa)

3.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

0908-0058 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Agro:
  • Agro
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0908-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0908-0058?
Check Price and Availability of 0908-0058, 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 0908-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0908-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0908-0058
  • 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 0908-0058 available by request