E203-0059 Screening compound: ethyl 3-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-amido]benzoate

E203-0059 Screening compound: ethyl 3-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-amido]benzoate
E203-0059 Screening compound: ethyl 3-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E203-0059
ethyl 3-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-amido]benzoate

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

E203-0059

Molecular Formula

C19H23N3O5S (C19 H23 N3 O5 S)

Compound Name

ethyl 3-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-amido]benzoate

IUPAC name

ethyl 3-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-amido]benzoate

SMILES

CCOC(c1cccc(NC(c2cc(S(N3CCCC3)(=O)=O)cn2C)=O)c1)=O

InChI

InChI=1S/C19H23N3O5S/c1-3-27-19(24)14-7-6-8-15(11-14)20-18(23)17-12-16(13-21(17)2)28(25,26)22-9-4-5-10-22/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,20,23)

InChI Key

OBDKSMLDVUMHRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.759

Distribution Coefficient, logD

2.758

Water Solubility, LogSw

-3.32

Polar Surface Area

78.470

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E203-0059 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

Cardiovascular Library (22201 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with E203-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E203-0059?
Check Price and Availability of E203-0059, 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 E203-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E203-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E203-0059
  • 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 E203-0059 available by request