L793-3545 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide

L793-3545 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide
L793-3545 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L793-3545
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{1-[(4-methylphenyl)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

L793-3545

Molecular Formula

C21H16ClF3N2O2 (C21 H16 ClF3 N2 O2)

Compound Name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide

IUPAC name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide

SMILES

Cc1ccc(Cn2c(C(C(Nc(cc3)cc(C(F)(F)F)c3Cl)=O)=O)ccc2)cc1

InChI

InChI=1S/C21H16ClF3N2O2/c1-13-4-6-14(7-5-13)12-27-10-2-3-18(27)19(28)20(29)26-15-8-9-17(22)16(11-15)21(23,24)25/h2-11H,12H2,1H3,(H,26,29)

InChI Key

YLMIAEZJLLVNSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27474904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.82

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

5.956

Distribution Coefficient, logD

5.140

Water Solubility, LogSw

-6.09

Polar Surface Area

38.658

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L793-3545 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Covalent Inhibitors Library (7986 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with L793-3545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L793-3545?
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What is the minimum amount of L793-3545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L793-3545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L793-3545
  • 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 L793-3545 available by request