Y031-2054 Screening compound: ethyl 4-{3-[(4-chlorophenyl)sulfanyl]propanamido}benzoate

Y031-2054 Screening compound: ethyl 4-{3-[(4-chlorophenyl)sulfanyl]propanamido}benzoate
Y031-2054 Screening compound: ethyl 4-{3-[(4-chlorophenyl)sulfanyl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2054
ethyl 4-{3-[(4-chlorophenyl)sulfanyl]propanamido}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

Y031-2054

Molecular Formula

C18H18ClNO3S (C18 H18 ClNO3 S)

Compound Name

ethyl 4-{3-[(4-chlorophenyl)sulfanyl]propanamido}benzoate

IUPAC name

ethyl 4-{3-[(4-chlorophenyl)sulfanyl]propanamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCSc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C18H18ClNO3S/c1-2-23-18(22)13-3-7-15(8-4-13)20-17(21)11-12-24-16-9-5-14(19)6-10-16/h3-10H,2,11-12H2,1H3,(H,20,21)

InChI Key

GNSMALDIYYIWKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04692144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-4.99

Polar Surface Area

43.870

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

Y031-2054 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y031-2054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2054?
Check Price and Availability of Y031-2054, 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 Y031-2054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2054
  • 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 Y031-2054 available by request