8019-4445 Screening compound: 2-(2-oxo-2H-chromen-3-yl)acetic acid

8019-4445 Screening compound: 2-(2-oxo-2H-chromen-3-yl)acetic acid
8019-4445 Screening compound: 2-(2-oxo-2H-chromen-3-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4445
2-(2-oxo-2H-chromen-3-yl)acetic 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

8019-4445

Molecular Formula

C11H8O4 (C11 H8 O4)

Compound Name

2-(2-oxo-2H-chromen-3-yl)acetic acid

IUPAC name

2-(2-oxo-2H-chromen-3-yl)acetic acid

SMILES

OC(CC1=Cc(cccc2)c2OC1=O)=O

InChI

InChI=1S/C11H8O4/c12-10(13)6-8-5-7-3-1-2-4-9(7)15-11(8)14/h1-5H,6H2,(H,12,13)

InChI Key

SHJIXDKRFQBKCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

204.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.331

Distribution Coefficient, logD

-1.780

Water Solubility, LogSw

-1.60

Polar Surface Area

49.544

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

8019-4445 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-4445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4445?
Check Price and Availability of 8019-4445, 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 8019-4445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4445
  • 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 8019-4445 available by request