L540-0162 Screening compound: ethyl 4-{3-methyl-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-amido}benzoate

L540-0162 Screening compound: ethyl 4-{3-methyl-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-amido}benzoate
L540-0162 Screening compound: ethyl 4-{3-methyl-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L540-0162
ethyl 4-{3-methyl-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-amido}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

L540-0162

Molecular Formula

C21H22N4O5S (C21 H22 N4 O5 S)

Compound Name

ethyl 4-{3-methyl-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-amido}benzoate

IUPAC name

ethyl 4-{3-methyl-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(c(C)n[nH]1)c1S(Nc1ccc(C)cc1)(=O)=O)=O)=O

InChI

InChI=1S/C21H22N4O5S/c1-4-30-21(27)15-7-11-16(12-8-15)22-19(26)18-14(3)23-24-20(18)31(28,29)25-17-9-5-13(2)6-10-17/h5-12,25H,4H2,1-3H3,(H,22,26)(H,23,24)

InChI Key

KEXMPRDWYHZQHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-4.31

Polar Surface Area

108.616

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L540-0162 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 L540-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L540-0162?
Check Price and Availability of L540-0162, 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 L540-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L540-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L540-0162
  • 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 L540-0162 available by request