E511-4045 Screening compound: N-[4-(propan-2-yl)phenyl]-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide

E511-4045 Screening compound: N-[4-(propan-2-yl)phenyl]-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
E511-4045 Screening compound: N-[4-(propan-2-yl)phenyl]-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-4045
N-[4-(propan-2-yl)phenyl]-4-(pyrrolidine-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

E511-4045

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

N-[4-(propan-2-yl)phenyl]-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide

IUPAC name

N-[4-(propan-2-yl)phenyl]-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide

SMILES

CC(C)c(cc1)ccc1NC(c1cc(S(N2CCCC2)(=O)=O)c[nH]1)=O

InChI

InChI=1S/C18H23N3O3S/c1-13(2)14-5-7-15(8-6-14)20-18(22)17-11-16(12-19-17)25(23,24)21-9-3-4-10-21/h5-8,11-13,19H,3-4,9-10H2,1-2H3,(H,20,22)

InChI Key

CAIRQFFULWQPLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10828199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.84

Polar Surface Area

65.562

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E511-4045 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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

References: we are preparing a list of scientific research reports with E511-4045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-4045?
Check Price and Availability of E511-4045, 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 E511-4045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-4045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-4045
  • 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 E511-4045 available by request