4456-2844 Screening compound: 4-(4-methoxybenzenesulfonamido)phenyl benzoate

4456-2844 Screening compound: 4-(4-methoxybenzenesulfonamido)phenyl benzoate
4456-2844 Screening compound: 4-(4-methoxybenzenesulfonamido)phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-2844
4-(4-methoxybenzenesulfonamido)phenyl 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

4456-2844

Molecular Formula

C20H17NO5S (C20 H17 NO5 S)

Compound Name

4-(4-methoxybenzenesulfonamido)phenyl benzoate

IUPAC name

4-(4-methoxybenzenesulfonamido)phenyl benzoate

SMILES

COc(cc1)ccc1S(Nc(cc1)ccc1OC(c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C20H17NO5S/c1-25-17-11-13-19(14-12-17)27(23,24)21-16-7-9-18(10-8-16)26-20(22)15-5-3-2-4-6-15/h2-14,21H,1H3

InChI Key

YTQPNKCHMMBKAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00567908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.939

Water Solubility, LogSw

-4.14

Polar Surface Area

68.810

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-10.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

4456-2844 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 4456-2844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-2844?
Check Price and Availability of 4456-2844, 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 4456-2844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-2844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-2844
  • 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 4456-2844 available by request