L793-4891 Screening compound: 2-{1-[(3,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-N-(4-fluoro-2-methylphenyl)-2-oxoacetamide

L793-4891 Screening compound: 2-{1-[(3,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-N-(4-fluoro-2-methylphenyl)-2-oxoacetamide
L793-4891 Screening compound: 2-{1-[(3,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-N-(4-fluoro-2-methylphenyl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L793-4891
2-{1-[(3,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-N-(4-fluoro-2-methylphenyl)-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

L793-4891

Molecular Formula

C22H21FN2O2 (C22 H21 FN2 O2)

Compound Name

2-{1-[(3,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-N-(4-fluoro-2-methylphenyl)-2-oxoacetamide

IUPAC name

2-{1-[(34-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-N-(4-fluoro-2-methylphenyl)-2-oxoacetamide

SMILES

Cc1c(C)cc(Cn2c(C(C(Nc(cc3)c(C)cc3F)=O)=O)ccc2)cc1

InChI

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

InChI Key

BFHFJZOELGFZFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475165

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

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.121

Distribution Coefficient, logD

5.105

Water Solubility, LogSw

-4.94

Polar Surface Area

37.960

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L793-4891 in Drug Discovery

Included in Screening Libraries

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 L793-4891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L793-4891?
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What is the minimum amount of L793-4891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L793-4891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L793-4891
  • 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 L793-4891 available by request