E511-3139 Screening compound: N-(2,4-dimethoxyphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide

E511-3139 Screening compound: N-(2,4-dimethoxyphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
E511-3139 Screening compound: N-(2,4-dimethoxyphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-3139
N-(2,4-dimethoxyphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide

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

E511-3139

Molecular Formula

C18H23N3O5S (C18 H23 N3 O5 S)

Compound Name

N-(2,4-dimethoxyphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide

IUPAC name

N-(24-dimethoxyphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(c1cc(S(N2CCCCC2)(=O)=O)c[nH]1)=O

InChI

InChI=1S/C18H23N3O5S/c1-25-13-6-7-15(17(10-13)26-2)20-18(22)16-11-14(12-19-16)27(23,24)21-8-4-3-5-9-21/h6-7,10-12,19H,3-5,8-9H2,1-2H3,(H,20,22)

InChI Key

UYYOCKYSFYDTDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14892945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.411

Distribution Coefficient, logD

2.407

Water Solubility, LogSw

-3.04

Polar Surface Area

79.673

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E511-3139 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with E511-3139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-3139?
Check Price and Availability of E511-3139, 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 E511-3139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-3139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-3139
  • 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 E511-3139 available by request