E511-3045 Screening compound: methyl 4-{[2-(4-chlorophenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate

E511-3045 Screening compound: methyl 4-{[2-(4-chlorophenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
E511-3045 Screening compound: methyl 4-{[2-(4-chlorophenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-3045
methyl 4-{[2-(4-chlorophenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate

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

E511-3045

Molecular Formula

C14H15ClN2O4S (C14 H15 ClN2 O4 S)

Compound Name

methyl 4-{[2-(4-chlorophenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{[2-(4-chlorophenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate

SMILES

COC(c1cc(S(NCCc(cc2)ccc2Cl)(=O)=O)c[nH]1)=O

InChI

InChI=1S/C14H15ClN2O4S/c1-21-14(18)13-8-12(9-16-13)22(19,20)17-7-6-10-2-4-11(15)5-3-10/h2-5,8-9,16-17H,6-7H2,1H3

InChI Key

RJKHJOQVIAEKDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14892918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.661

Distribution Coefficient, logD

2.661

Water Solubility, LogSw

-3.45

Polar Surface Area

73.168

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E511-3045 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 E511-3045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-3045?
Check Price and Availability of E511-3045, 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 E511-3045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-3045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-3045
  • 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 E511-3045 available by request