E882-1334 Screening compound: 2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(4-methylpyridin-2-yl)acetamide

E882-1334 Screening compound: 2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(4-methylpyridin-2-yl)acetamide
E882-1334 Screening compound: 2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(4-methylpyridin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-1334
2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(4-methylpyridin-2-yl)acetamide

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

E882-1334

Molecular Formula

C14H19N5O5S2 (C14 H19 N5 O5 S2)

Compound Name

2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(4-methylpyridin-2-yl)acetamide

IUPAC name

2-[34-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(4-methylpyridin-2-yl)acetamide

SMILES

Cc1cc(NC(Cn(cc2S(NC)(=O)=O)cc2S(NC)(=O)=O)=O)ncc1

InChI

InChI=1S/C14H19N5O5S2/c1-10-4-5-17-13(6-10)18-14(20)9-19-7-11(25(21,22)15-2)12(8-19)26(23,24)16-3/h4-8,15-16H,9H2,1-3H3,(H,17,18,20)

InChI Key

YOCLGYQQQICDOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.271

Distribution Coefficient, logD

-0.271

Water Solubility, LogSw

-2.33

Polar Surface Area

118.900

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E882-1334 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E882-1334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-1334?
Check Price and Availability of E882-1334, 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 E882-1334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-1334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-1334
  • 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 E882-1334 available by request