E511-4736 Screening compound: N-(3-methylphenyl)-1-[(2-phenyl-1H-1,3-benzodiazol-5-yl)sulfonyl]pyrrolidine-2-carboxamide

E511-4736 Screening compound: N-(3-methylphenyl)-1-[(2-phenyl-1H-1,3-benzodiazol-5-yl)sulfonyl]pyrrolidine-2-carboxamide
E511-4736 Screening compound: N-(3-methylphenyl)-1-[(2-phenyl-1H-1,3-benzodiazol-5-yl)sulfonyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-4736
N-(3-methylphenyl)-1-[(2-phenyl-1H-1,3-benzodiazol-5-yl)sulfonyl]pyrrolidine-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

E511-4736

Molecular Formula

C25H24N4O3S (C25 H24 N4 O3 S)

Compound Name

N-(3-methylphenyl)-1-[(2-phenyl-1H-1,3-benzodiazol-5-yl)sulfonyl]pyrrolidine-2-carboxamide

IUPAC name

N-(3-methylphenyl)-1-[(2-phenyl-1H-13-benzodiazol-5-yl)sulfonyl]pyrrolidine-2-carboxamide

SMILES

Cc1cccc(NC(C(CCC2)N2S(c(cc2)cc3c2[nH]c(-c2ccccc2)n3)(=O)=O)=O)c1

InChI

InChI=1S/C25H24N4O3S/c1-17-7-5-10-19(15-17)26-25(30)23-11-6-14-29(23)33(31,32)20-12-13-21-22(16-20)28-24(27-21)18-8-3-2-4-9-18/h2-5,7-10,12-13,15-16,23H,6,11,14H2,1H3,(H,26,30)(H,27,28)/t23-/m0/s1

InChI Key

NRPFXUWIGXIVSJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14893226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.352

Distribution Coefficient, logD

4.348

Water Solubility, LogSw

-4.23

Polar Surface Area

74.897

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

E511-4736 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Serine Proteases Inhibitors Library (32732 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:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E511-4736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-4736?
Check Price and Availability of E511-4736, 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 E511-4736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-4736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-4736
  • 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 E511-4736 available by request