C879-1860 Screening compound: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

C879-1860 Screening compound: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
C879-1860 Screening compound: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1860
1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

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

C879-1860

Molecular Formula

C23H26FN3O4S (C23 H26 FN3 O4 S)

Compound Name

1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

IUPAC name

1-[(4-fluorophenyl)methyl]-25-dimethyl-4-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCCc(cc2)ccc2S(N)(=O)=O)c(C(O)=O)c(C)n1Cc(cc1)ccc1F

InChI

InChI=1S/C23H26FN3O4S/c1-15-21(13-26-12-11-17-5-9-20(10-6-17)32(25,30)31)22(23(28)29)16(2)27(15)14-18-3-7-19(24)8-4-18/h3-10,26H,11-14H2,1-2H3,(H,28,29)(H2,25,30,31)

InChI Key

DBHXOYGDGIEXOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.830

Distribution Coefficient, logD

1.830

Water Solubility, LogSw

-2.30

Polar Surface Area

92.554

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C879-1860 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C879-1860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1860?
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What is the minimum amount of C879-1860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1860
  • 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 C879-1860 available by request