F065-5225 Screening compound: ethyl 4-({2-[(3-fluoro-4-methylphenyl)carbamoyl]ethyl}sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate

F065-5225 Screening compound: ethyl 4-({2-[(3-fluoro-4-methylphenyl)carbamoyl]ethyl}sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate
F065-5225 Screening compound: ethyl 4-({2-[(3-fluoro-4-methylphenyl)carbamoyl]ethyl}sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-5225
ethyl 4-({2-[(3-fluoro-4-methylphenyl)carbamoyl]ethyl}sulfamoyl)-1-methyl-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

F065-5225

Molecular Formula

C18H22FN3O5S (C18 H22 FN3 O5 S)

Compound Name

ethyl 4-({2-[(3-fluoro-4-methylphenyl)carbamoyl]ethyl}sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-({2-[(3-fluoro-4-methylphenyl)carbamoyl]ethyl}sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1cc(S(NCCC(Nc2cc(F)c(C)cc2)=O)(=O)=O)cn1C)=O

InChI

InChI=1S/C18H22FN3O5S/c1-4-27-18(24)16-10-14(11-22(16)3)28(25,26)20-8-7-17(23)21-13-6-5-12(2)15(19)9-13/h5-6,9-11,20H,4,7-8H2,1-3H3,(H,21,23)

InChI Key

VRKRGDFRLQTUGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.274

Distribution Coefficient, logD

2.272

Water Solubility, LogSw

-2.88

Polar Surface Area

88.051

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F065-5225 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F065-5225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-5225?
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What is the minimum amount of F065-5225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-5225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-5225
  • 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 F065-5225 available by request