F378-0406 Screening compound: ethyl 1,3,5-trimethyl-4-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate

F378-0406 Screening compound: ethyl 1,3,5-trimethyl-4-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate
F378-0406 Screening compound: ethyl 1,3,5-trimethyl-4-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F378-0406
ethyl 1,3,5-trimethyl-4-{[3-(trifluoromethyl)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

F378-0406

Molecular Formula

C17H19F3N2O4S (C17 H19 F3 N2 O4 S)

Compound Name

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

IUPAC name

ethyl 135-trimethyl-4-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(S(Nc2cc(C(F)(F)F)ccc2)(=O)=O)c(C)n1C)=O

InChI

InChI=1S/C17H19F3N2O4S/c1-5-26-16(23)14-10(2)15(11(3)22(14)4)27(24,25)21-13-8-6-7-12(9-13)17(18,19)20/h6-9,21H,5H2,1-4H3

InChI Key

IXRAUZKRYSPOHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27121030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

2.324

Water Solubility, LogSw

-3.92

Polar Surface Area

63.450

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

F378-0406 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F378-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F378-0406?
Check Price and Availability of F378-0406, 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 F378-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F378-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F378-0406
  • 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 F378-0406 available by request