M080-0076 Screening compound: 1,2-dimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-sulfamoylphenyl)-1H-pyrrole-3-sulfonamide

M080-0076 Screening compound: 1,2-dimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-sulfamoylphenyl)-1H-pyrrole-3-sulfonamide
M080-0076 Screening compound: 1,2-dimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-sulfamoylphenyl)-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M080-0076
1,2-dimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-sulfamoylphenyl)-1H-pyrrole-3-sulfonamide

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

M080-0076

Molecular Formula

C15H17N5O5S2 (C15 H17 N5 O5 S2)

Compound Name

1,2-dimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-sulfamoylphenyl)-1H-pyrrole-3-sulfonamide

IUPAC name

12-dimethyl-5-(5-methyl-134-oxadiazol-2-yl)-N-(4-sulfamoylphenyl)-1H-pyrrole-3-sulfonamide

SMILES

Cc(n(C)c(-c1nnc(C)o1)c1)c1S(Nc(cc1)ccc1S(N)(=O)=O)(=O)=O

InChI

InChI=1S/C15H17N5O5S2/c1-9-14(8-13(20(9)3)15-18-17-10(2)25-15)27(23,24)19-11-4-6-12(7-5-11)26(16,21)22/h4-8,19H,1-3H3,(H2,16,21,22)

InChI Key

IWVPRMYSLBNFIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.006

Distribution Coefficient, logD

-0.598

Water Solubility, LogSw

-2.33

Polar Surface Area

123.267

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M080-0076 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M080-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M080-0076?
Check Price and Availability of M080-0076, 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 M080-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M080-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M080-0076
  • 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 M080-0076 available by request