L793-4418 Screening compound: N-(2,5-dimethoxyphenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide

L793-4418 Screening compound: N-(2,5-dimethoxyphenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide
L793-4418 Screening compound: N-(2,5-dimethoxyphenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L793-4418
N-(2,5-dimethoxyphenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide

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

L793-4418

Molecular Formula

C21H19FN2O4 (C21 H19 FN2 O4)

Compound Name

N-(2,5-dimethoxyphenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide

IUPAC name

N-(25-dimethoxyphenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide

SMILES

COc(cc1)cc(NC(C(c2cccn2Cc(cc2)ccc2F)=O)=O)c1OC

InChI

InChI=1S/C21H19FN2O4/c1-27-16-9-10-19(28-2)17(12-16)23-21(26)20(25)18-4-3-11-24(18)13-14-5-7-15(22)8-6-14/h3-12H,13H2,1-2H3,(H,23,26)

InChI Key

HFITYRRGPOOUIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-4.08

Polar Surface Area

53.134

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L793-4418 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with L793-4418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L793-4418?
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What is the minimum amount of L793-4418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L793-4418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L793-4418
  • 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 L793-4418 available by request