F404-0403 Screening compound: ethyl 2-(5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate

F404-0403 Screening compound: ethyl 2-(5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
F404-0403 Screening compound: ethyl 2-(5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F404-0403
ethyl 2-(5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethyl-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

F404-0403

Molecular Formula

C28H34N4O5 (C28 H34 N4 O5)

Compound Name

ethyl 2-(5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate

IUPAC name

ethyl 2-(5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-78-dimethyl-4-oxo-45-dihydro-1H-15-benzodiazepin-2-yl)acetate

SMILES

CCOC(CC(Nc(cc(C)c(C)c1)c1N1CC(N(CC2)CCN2c(cccc2)c2OC)=O)=CC1=O)=O

InChI

InChI=1S/C28H34N4O5/c1-5-37-28(35)17-21-16-26(33)32(24-15-20(3)19(2)14-22(24)29-21)18-27(34)31-12-10-30(11-13-31)23-8-6-7-9-25(23)36-4/h6-9,14-16,29H,5,10-13,17-18H2,1-4H3

InChI Key

IROVAVWFTIZAQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.391

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.72

Polar Surface Area

74.717

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

F404-0403 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 F404-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F404-0403?
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What is the minimum amount of F404-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F404-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F404-0403
  • 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 F404-0403 available by request