E882-1436 Screening compound: 2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide

E882-1436 Screening compound: 2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide
E882-1436 Screening compound: 2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-1436
2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-{[4-(dimethylamino)phenyl]methyl}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

E882-1436

Molecular Formula

C17H25N5O5S2 (C17 H25 N5 O5 S2)

Compound Name

2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide

IUPAC name

2-[34-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide

SMILES

CNS(c1cn(CC(NCc(cc2)ccc2N(C)C)=O)cc1S(NC)(=O)=O)(=O)=O

InChI

InChI=1S/C17H25N5O5S2/c1-18-28(24,25)15-10-22(11-16(15)29(26,27)19-2)12-17(23)20-9-13-5-7-14(8-6-13)21(3)4/h5-8,10-11,18-19H,9,12H2,1-4H3,(H,20,23)

InChI Key

PBLHFKNKUZLJSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.130

Distribution Coefficient, logD

-0.145

Water Solubility, LogSw

-2.30

Polar Surface Area

113.412

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

E882-1436 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E882-1436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-1436?
Check Price and Availability of E882-1436, 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 E882-1436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-1436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-1436
  • 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 E882-1436 available by request