7706-0110 Screening compound: 2-methyl-4-oxo-4H-pyran-3-yl 4-chlorobenzoate

7706-0110 Screening compound: 2-methyl-4-oxo-4H-pyran-3-yl 4-chlorobenzoate
7706-0110 Screening compound: 2-methyl-4-oxo-4H-pyran-3-yl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0110
2-methyl-4-oxo-4H-pyran-3-yl 4-chlorobenzoate

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

7706-0110

Molecular Formula

C13H9ClO4 (C13 H9 ClO4)

Compound Name

2-methyl-4-oxo-4H-pyran-3-yl 4-chlorobenzoate

IUPAC name

2-methyl-4-oxo-4H-pyran-3-yl 4-chlorobenzoate

SMILES

CC(OC=CC1=O)=C1OC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C13H9ClO4/c1-8-12(11(15)6-7-17-8)18-13(16)9-2-4-10(14)5-3-9/h2-7H,1H3

InChI Key

JGQBWRMXFUBIMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-3.14

Polar Surface Area

39.874

Acid Dissociation Constant (pKa)

32.21

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

7706-0110 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7706-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0110?
Check Price and Availability of 7706-0110, 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 7706-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0110
  • 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 7706-0110 available by request