E975-0182 Screening compound: 2-[3,4-bis(tert-butylsulfamoyl)-1H-pyrrol-1-yl]-N-phenylacetamide

E975-0182 Screening compound: 2-[3,4-bis(tert-butylsulfamoyl)-1H-pyrrol-1-yl]-N-phenylacetamide
E975-0182 Screening compound: 2-[3,4-bis(tert-butylsulfamoyl)-1H-pyrrol-1-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-0182
2-[3,4-bis(tert-butylsulfamoyl)-1H-pyrrol-1-yl]-N-phenylacetamide

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

E975-0182

Molecular Formula

C20H30N4O5S2 (C20 H30 N4 O5 S2)

Compound Name

2-[3,4-bis(tert-butylsulfamoyl)-1H-pyrrol-1-yl]-N-phenylacetamide

IUPAC name

2-[34-bis(tert-butylsulfamoyl)-1H-pyrrol-1-yl]-N-phenylacetamide

SMILES

CC(C)(C)NS(c1cn(CC(Nc2ccccc2)=O)cc1S(NC(C)(C)C)(=O)=O)(=O)=O

InChI

InChI=1S/C20H30N4O5S2/c1-19(2,3)22-30(26,27)16-12-24(13-17(16)31(28,29)23-20(4,5)6)14-18(25)21-15-10-8-7-9-11-15/h7-13,22-23H,14H2,1-6H3,(H,21,25)

InChI Key

UHUMUWPENDFISC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.954

Distribution Coefficient, logD

1.954

Water Solubility, LogSw

-2.55

Polar Surface Area

109.119

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

E975-0182 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E975-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-0182?
Check Price and Availability of E975-0182, 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 E975-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-0182
  • 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 E975-0182 available by request