F065-5261 Screening compound: ethyl 1-methyl-4-({2-[(4-methylphenyl)carbamoyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate

F065-5261 Screening compound: ethyl 1-methyl-4-({2-[(4-methylphenyl)carbamoyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate
F065-5261 Screening compound: ethyl 1-methyl-4-({2-[(4-methylphenyl)carbamoyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-5261
ethyl 1-methyl-4-({2-[(4-methylphenyl)carbamoyl]ethyl}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

F065-5261

Molecular Formula

C18H23N3O5S (C18 H23 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1cc(S(NCCC(Nc2ccc(C)cc2)=O)(=O)=O)cn1C)=O

InChI

InChI=1S/C18H23N3O5S/c1-4-26-18(23)16-11-15(12-21(16)3)27(24,25)19-10-9-17(22)20-14-7-5-13(2)6-8-14/h5-8,11-12,19H,4,9-10H2,1-3H3,(H,20,22)

InChI Key

JVCMHVAYQAYBSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.46

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

2.047

Distribution Coefficient, logD

2.047

Water Solubility, LogSw

-2.88

Polar Surface Area

88.051

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with F065-5261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-5261?
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What is the minimum amount of F065-5261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-5261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-5261
  • 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 F065-5261 available by request