L793-4451 Screening compound: N-(2-ethyl-6-methylphenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide

L793-4451 Screening compound: N-(2-ethyl-6-methylphenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide
L793-4451 Screening compound: N-(2-ethyl-6-methylphenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L793-4451
N-(2-ethyl-6-methylphenyl)-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

L793-4451

Molecular Formula

C22H21FN2O2 (C22 H21 FN2 O2)

Compound Name

N-(2-ethyl-6-methylphenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide

IUPAC name

N-(2-ethyl-6-methylphenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide

SMILES

CCc(cccc1C)c1NC(C(c1cccn1Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C22H21FN2O2/c1-3-17-7-4-6-15(2)20(17)24-22(27)21(26)19-8-5-13-25(19)14-16-9-11-18(23)12-10-16/h4-13H,3,14H2,1-2H3,(H,24,27)

InChI Key

CFLKRSMGZSKWJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.24

Polar Surface Area

37.262

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L793-4451 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 L793-4451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L793-4451?
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What is the minimum amount of L793-4451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L793-4451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L793-4451
  • 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 L793-4451 available by request