Y030-0696 Screening compound: ethyl 4-(4-methylbenzenesulfonamido)benzoate

Y030-0696 Screening compound: ethyl 4-(4-methylbenzenesulfonamido)benzoate
Y030-0696 Screening compound: ethyl 4-(4-methylbenzenesulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-0696
ethyl 4-(4-methylbenzenesulfonamido)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

Y030-0696

Molecular Formula

C16H17NO4S (C16 H17 NO4 S)

Compound Name

ethyl 4-(4-methylbenzenesulfonamido)benzoate

IUPAC name

ethyl 4-(4-methylbenzenesulfonamido)benzoate

SMILES

CCOC(c(cc1)ccc1NS(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C16H17NO4S/c1-3-21-16(18)13-6-8-14(9-7-13)17-22(19,20)15-10-4-12(2)5-11-15/h4-11,17H,3H2,1-2H3

InChI Key

HWQDVFLGBCJTOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00406437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.991

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-4.01

Polar Surface Area

61.642

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

-11.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

Y030-0696 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y030-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-0696?
Check Price and Availability of Y030-0696, 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 Y030-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-0696
  • 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 Y030-0696 available by request