R052-2033 Screening compound: 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid

R052-2033 Screening compound: 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid
R052-2033 Screening compound: 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2033
4-(4-methylphenyl)-1-oxo-1H-isochromene-3-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

R052-2033

Molecular Formula

C17H12O4 (C17 H12 O4)

Compound Name

4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid

IUPAC name

4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid

SMILES

Cc(cc1)ccc1C(c1c2cccc1)=C(C(O)=O)OC2=O

InChI

InChI=1S/C17H12O4/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)17(20)21-15(14)16(18)19/h2-9H,1H3,(H,18,19)

InChI Key

JCLJXTFQIGXMRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02853678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.28

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

2.820

Distribution Coefficient, logD

-0.593

Water Solubility, LogSw

-3.20

Polar Surface Area

49.376

Acid Dissociation Constant (pKa)

3.99

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

R052-2033 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with R052-2033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2033?
Check Price and Availability of R052-2033, 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 R052-2033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2033
  • 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 R052-2033 available by request