5483-0312 Screening compound: 7-(4-methylphenyl)-4,7-dioxoheptanoic acid

5483-0312 Screening compound: 7-(4-methylphenyl)-4,7-dioxoheptanoic acid
5483-0312 Screening compound: 7-(4-methylphenyl)-4,7-dioxoheptanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5483-0312
7-(4-methylphenyl)-4,7-dioxoheptanoic 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

5483-0312

Molecular Formula

C14H16O4 (C14 H16 O4)

Compound Name

7-(4-methylphenyl)-4,7-dioxoheptanoic acid

IUPAC name

7-(4-methylphenyl)-47-dioxoheptanoic acid

SMILES

Cc(cc1)ccc1C(CCC(CCC(O)=O)=O)=O

InChI

InChI=1S/C14H16O4/c1-10-2-4-11(5-3-10)13(16)8-6-12(15)7-9-14(17)18/h2-5H,6-9H2,1H3,(H,17,18)

InChI Key

QTHAVLUZTVMQOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.563

Distribution Coefficient, logD

-1.387

Water Solubility, LogSw

-1.67

Polar Surface Area

54.624

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

5483-0312 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5483-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5483-0312?
Check Price and Availability of 5483-0312, 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 5483-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5483-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5483-0312
  • 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 5483-0312 available by request