F404-0045 Screening compound: methyl 2-{5-[2-(2-ethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate

F404-0045 Screening compound: methyl 2-{5-[2-(2-ethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
F404-0045 Screening compound: methyl 2-{5-[2-(2-ethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F404-0045
methyl 2-{5-[2-(2-ethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate

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

F404-0045

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

methyl 2-{5-[2-(2-ethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate

IUPAC name

methyl 2-(5-{[(2-ethoxyphenyl)carbamoyl]methyl}-4-oxo-45-dihydro-1H-15-benzodiazepin-2-yl)acetate

SMILES

CCOc(cccc1)c1NC(CN(c(cccc1)c1NC(CC(OC)=O)=C1)C1=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.593

Distribution Coefficient, logD

2.232

Water Solubility, LogSw

-3.06

Polar Surface Area

77.817

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

F404-0045 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F404-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F404-0045?
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What is the minimum amount of F404-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F404-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F404-0045
  • 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 F404-0045 available by request