L793-4417 Screening compound: ethyl 4-(2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamido)benzoate

L793-4417 Screening compound: ethyl 4-(2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamido)benzoate
L793-4417 Screening compound: ethyl 4-(2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L793-4417
ethyl 4-(2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamido)benzoate

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

L793-4417

Molecular Formula

C22H19FN2O4 (C22 H19 FN2 O4)

Compound Name

ethyl 4-(2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamido)benzoate

IUPAC name

ethyl 4-(2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2-oxoacetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(c1cccn1Cc(cc1)ccc1F)=O)=O)=O

InChI

InChI=1S/C22H19FN2O4/c1-2-29-22(28)16-7-11-18(12-8-16)24-21(27)20(26)19-4-3-13-25(19)14-15-5-9-17(23)10-6-15/h3-13H,2,14H2,1H3,(H,24,27)

InChI Key

HFBSTQKYPDWEBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.556

Distribution Coefficient, logD

4.549

Water Solubility, LogSw

-4.25

Polar Surface Area

59.411

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L793-4417 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L793-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L793-4417?
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What is the minimum amount of L793-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L793-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L793-4417
  • 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 L793-4417 available by request