E975-0598 Screening compound: 2-[3,4-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-N-phenylacetamide

E975-0598 Screening compound: 2-[3,4-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-N-phenylacetamide
E975-0598 Screening compound: 2-[3,4-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-0598
2-[3,4-bis(pyrrolidine-1-sulfonyl)-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

E975-0598

Molecular Formula

C20H26N4O5S2 (C20 H26 N4 O5 S2)

Compound Name

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

IUPAC name

2-[34-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-N-phenylacetamide

SMILES

O=C(Cn(cc1S(N2CCCC2)(=O)=O)cc1S(N1CCCC1)(=O)=O)Nc1ccccc1

InChI

InChI=1S/C20H26N4O5S2/c25-20(21-17-8-2-1-3-9-17)16-22-14-18(30(26,27)23-10-4-5-11-23)19(15-22)31(28,29)24-12-6-7-13-24/h1-3,8-9,14-15H,4-7,10-13,16H2,(H,21,25)

InChI Key

HIDCQCICMSJCRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.499

Distribution Coefficient, logD

1.499

Water Solubility, LogSw

-2.34

Polar Surface Area

91.139

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

E975-0598 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E975-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-0598?
Check Price and Availability of E975-0598, 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 E975-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-0598
  • 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 E975-0598 available by request