F378-0530 Screening compound: ethyl 4-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

F378-0530 Screening compound: ethyl 4-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
F378-0530 Screening compound: ethyl 4-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F378-0530
ethyl 4-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]-1,3,5-trimethyl-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

F378-0530

Molecular Formula

C17H20N2O6S (C17 H20 N2 O6 S)

Compound Name

ethyl 4-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[(2H-13-benzodioxol-5-yl)sulfamoyl]-135-trimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(S(Nc(cc2)cc3c2OCO3)(=O)=O)c(C)n1C)=O

InChI

InChI=1S/C17H20N2O6S/c1-5-23-17(20)15-10(2)16(11(3)19(15)4)26(21,22)18-12-6-7-13-14(8-12)25-9-24-13/h6-8,18H,5,9H2,1-4H3

InChI Key

LBZJEVHSZFYOLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27121093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.382

Distribution Coefficient, logD

2.005

Water Solubility, LogSw

-2.98

Polar Surface Area

80.566

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

F378-0530 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with F378-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F378-0530?
Check Price and Availability of F378-0530, 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 F378-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F378-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F378-0530
  • 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 F378-0530 available by request