E511-4434 Screening compound: methyl 4-{[4-(trifluoromethoxy)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate

E511-4434 Screening compound: methyl 4-{[4-(trifluoromethoxy)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate
E511-4434 Screening compound: methyl 4-{[4-(trifluoromethoxy)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-4434
methyl 4-{[4-(trifluoromethoxy)phenyl]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

E511-4434

Molecular Formula

C13H11F3N2O5S (C13 H11 F3 N2 O5 S)

Compound Name

methyl 4-{[4-(trifluoromethoxy)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{[4-(trifluoromethoxy)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate

SMILES

COC(c1cc(S(Nc(cc2)ccc2OC(F)(F)F)(=O)=O)c[nH]1)=O

InChI

InChI=1S/C13H11F3N2O5S/c1-22-12(19)11-6-10(7-17-11)24(20,21)18-8-2-4-9(5-3-8)23-13(14,15)16/h2-7,17-18H,1H3

InChI Key

QAKXTYJMMGQDGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.161

Water Solubility, LogSw

-3.65

Polar Surface Area

78.154

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E511-4434 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E511-4434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-4434?
Check Price and Availability of E511-4434, 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 E511-4434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-4434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-4434
  • 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 E511-4434 available by request