1165-0552 Screening compound: 4-methoxyphenyl 2-phenylethane-1-sulfonate

1165-0552 Screening compound: 4-methoxyphenyl 2-phenylethane-1-sulfonate
1165-0552 Screening compound: 4-methoxyphenyl 2-phenylethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1165-0552
4-methoxyphenyl 2-phenylethane-1-sulfonate

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

1165-0552

Molecular Formula

C15H16O4S (C15 H16 O4 S)

Compound Name

4-methoxyphenyl 2-phenylethane-1-sulfonate

IUPAC name

4-methoxyphenyl 2-phenylethane-1-sulfonate

SMILES

COc(cc1)ccc1OS(CCc1ccccc1)(=O)=O

InChI

InChI=1S/C15H16O4S/c1-18-14-7-9-15(10-8-14)19-20(16,17)12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3

InChI Key

SSMWSXPGCGUDJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00186953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.080

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-3.35

Polar Surface Area

42.619

Acid Dissociation Constant (pKa)

20.76

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1165-0552 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1165-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1165-0552?
Check Price and Availability of 1165-0552, 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 1165-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1165-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1165-0552
  • 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 1165-0552 available by request