E912-0846 Screening compound: ethyl 4-{[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate

E912-0846 Screening compound: ethyl 4-{[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
E912-0846 Screening compound: ethyl 4-{[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0846
ethyl 4-{[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-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

E912-0846

Molecular Formula

C16H16ClF3N2O4S (C16 H16 ClF3 N2 O4 S)

Compound Name

ethyl 4-{[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 4-{[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl}-25-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C)c1S(Nc(cc1)cc(C(F)(F)F)c1Cl)(=O)=O)=O

InChI

InChI=1S/C16H16ClF3N2O4S/c1-4-26-15(23)13-8(2)21-9(3)14(13)27(24,25)22-10-5-6-12(17)11(7-10)16(18,19)20/h5-7,21-22H,4H2,1-3H3

InChI Key

DTZKNPAIPDLOKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-4.88

Polar Surface Area

72.430

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

E912-0846 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E912-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0846?
Check Price and Availability of E912-0846, 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 E912-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0846
  • 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 E912-0846 available by request