F378-0019 Screening compound: ethyl 3,5-dimethyl-4-{[(pyridin-3-yl)methyl]sulfamoyl}-1H-pyrrole-2-carboxylate

F378-0019 Screening compound: ethyl 3,5-dimethyl-4-{[(pyridin-3-yl)methyl]sulfamoyl}-1H-pyrrole-2-carboxylate
F378-0019 Screening compound: ethyl 3,5-dimethyl-4-{[(pyridin-3-yl)methyl]sulfamoyl}-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F378-0019
ethyl 3,5-dimethyl-4-{[(pyridin-3-yl)methyl]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

F378-0019

Molecular Formula

C15H19N3O4S (C15 H19 N3 O4 S)

Compound Name

ethyl 3,5-dimethyl-4-{[(pyridin-3-yl)methyl]sulfamoyl}-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 35-dimethyl-4-{[(pyridin-3-yl)methyl]sulfamoyl}-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(S(NCc2cnccc2)(=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C15H19N3O4S/c1-4-22-15(19)13-10(2)14(11(3)18-13)23(20,21)17-9-12-6-5-7-16-8-12/h5-8,17-18H,4,9H2,1-3H3

InChI Key

RYPSPWHXNQXGBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27120912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.248

Distribution Coefficient, logD

1.244

Water Solubility, LogSw

-1.84

Polar Surface Area

83.250

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F378-0019 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F378-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F378-0019?
Check Price and Availability of F378-0019, 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 F378-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F378-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F378-0019
  • 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 F378-0019 available by request