L540-6339 Screening compound: methyl 4-{5-[(3,5-dimethylphenyl)sulfamoyl]-1H-pyrazole-4-amido}benzoate

L540-6339 Screening compound: methyl 4-{5-[(3,5-dimethylphenyl)sulfamoyl]-1H-pyrazole-4-amido}benzoate
L540-6339 Screening compound: methyl 4-{5-[(3,5-dimethylphenyl)sulfamoyl]-1H-pyrazole-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L540-6339
methyl 4-{5-[(3,5-dimethylphenyl)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

L540-6339

Molecular Formula

C20H20N4O5S (C20 H20 N4 O5 S)

Compound Name

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

IUPAC name

methyl 4-{5-[(35-dimethylphenyl)sulfamoyl]-1H-pyrazole-4-amido}benzoate

SMILES

Cc1cc(NS(c([nH]nc2)c2C(Nc(cc2)ccc2C(OC)=O)=O)(=O)=O)cc(C)c1

InChI

InChI=1S/C20H20N4O5S/c1-12-8-13(2)10-16(9-12)24-30(27,28)19-17(11-21-23-19)18(25)22-15-6-4-14(5-7-15)20(26)29-3/h4-11,24H,1-3H3,(H,21,23)(H,22,25)

InChI Key

QJPDAYBLWWGKPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27460811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

3.100

Water Solubility, LogSw

-3.57

Polar Surface Area

109.389

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

L540-6339 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L540-6339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L540-6339?
Check Price and Availability of L540-6339, 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 L540-6339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L540-6339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L540-6339
  • 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 L540-6339 available by request