L793-4445 Screening compound: N-(4-cyanophenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide

L793-4445 Screening compound: N-(4-cyanophenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide
L793-4445 Screening compound: N-(4-cyanophenyl)-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L793-4445
N-(4-cyanophenyl)-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

L793-4445

Molecular Formula

C20H14FN3O2 (C20 H14 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cc1)ccc1NC(C(c1cccn1Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C20H14FN3O2/c21-16-7-3-15(4-8-16)13-24-11-1-2-18(24)19(25)20(26)23-17-9-5-14(12-22)6-10-17/h1-11H,13H2,(H,23,26)

InChI Key

RZQLEGXPVWNZRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.86

Polar Surface Area

55.714

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

L793-4445 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 L793-4445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L793-4445?
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What is the minimum amount of L793-4445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L793-4445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L793-4445
  • 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 L793-4445 available by request