0091-0123 Screening compound: methyl 3-(naphthalene-2-sulfonyl)propanoate

0091-0123 Screening compound: methyl 3-(naphthalene-2-sulfonyl)propanoate
0091-0123 Screening compound: methyl 3-(naphthalene-2-sulfonyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0091-0123
methyl 3-(naphthalene-2-sulfonyl)propanoate

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

0091-0123

Molecular Formula

C14H14O4S (C14 H14 O4 S)

Compound Name

methyl 3-(naphthalene-2-sulfonyl)propanoate

IUPAC name

methyl 3-(naphthalene-2-sulfonyl)propanoate

SMILES

COC(CCS(c1cc2ccccc2cc1)(=O)=O)=O

InChI

InChI=1S/C14H14O4S/c1-18-14(15)8-9-19(16,17)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3

InChI Key

KWZSWJCSFAOCMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00426350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.156

Distribution Coefficient, logD

2.156

Water Solubility, LogSw

-2.83

Polar Surface Area

49.582

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

0091-0123 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0091-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0091-0123?
Check Price and Availability of 0091-0123, 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 0091-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0091-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0091-0123
  • 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 0091-0123 available by request