4433-0014 Screening compound: methyl 4-(benzenesulfonyl)benzoate

4433-0014 Screening compound: methyl 4-(benzenesulfonyl)benzoate
4433-0014 Screening compound: methyl 4-(benzenesulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4433-0014
methyl 4-(benzenesulfonyl)benzoate

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

4433-0014

Molecular Formula

C14H12O4S (C14 H12 O4 S)

Compound Name

methyl 4-(benzenesulfonyl)benzoate

IUPAC name

methyl 4-(benzenesulfonyl)benzoate

SMILES

COC(c(cc1)ccc1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C14H12O4S/c1-18-14(15)11-7-9-13(10-8-11)19(16,17)12-5-3-2-4-6-12/h2-10H,1H3

InChI Key

PIMQZAZGHURSCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.093

Distribution Coefficient, logD

3.093

Water Solubility, LogSw

-3.28

Polar Surface Area

50.913

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

4433-0014 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4433-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4433-0014?
Check Price and Availability of 4433-0014, 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 4433-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4433-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4433-0014
  • 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 4433-0014 available by request