5709-0007 Screening compound: 3-(6-methoxy-2-oxo-2H-chromene-3-amido)benzoic acid

5709-0007 Screening compound: 3-(6-methoxy-2-oxo-2H-chromene-3-amido)benzoic acid
5709-0007 Screening compound: 3-(6-methoxy-2-oxo-2H-chromene-3-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5709-0007
3-(6-methoxy-2-oxo-2H-chromene-3-amido)benzoic 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

5709-0007

Molecular Formula

C18H13NO6 (C18 H13 NO6)

Compound Name

3-(6-methoxy-2-oxo-2H-chromene-3-amido)benzoic acid

IUPAC name

3-(6-methoxy-2-oxo-2H-chromene-3-amido)benzoic acid

SMILES

COc(cc1)cc(C=C2C(Nc3cc(C(O)=O)ccc3)=O)c1OC2=O

InChI

InChI=1S/C18H13NO6/c1-24-13-5-6-15-11(8-13)9-14(18(23)25-15)16(20)19-12-4-2-3-10(7-12)17(21)22/h2-9H,1H3,(H,19,20)(H,21,22)

InChI Key

RYZNKSQDEIFVJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.006

Distribution Coefficient, logD

0.120

Water Solubility, LogSw

-3.61

Polar Surface Area

80.203

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

5709-0007 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5709-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5709-0007?
Check Price and Availability of 5709-0007, 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 5709-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5709-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5709-0007
  • 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 5709-0007 available by request