F404-0090 Screening compound: methyl 2-(5-{[(naphthalen-2-yl)carbamoyl]methyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate

F404-0090 Screening compound: methyl 2-(5-{[(naphthalen-2-yl)carbamoyl]methyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
F404-0090 Screening compound: methyl 2-(5-{[(naphthalen-2-yl)carbamoyl]methyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F404-0090
methyl 2-(5-{[(naphthalen-2-yl)carbamoyl]methyl}-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

F404-0090

Molecular Formula

C24H21N3O4 (C24 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(CC(Nc(cccc1)c1N1CC(Nc2cc3ccccc3cc2)=O)=CC1=O)=O

InChI

InChI=1S/C24H21N3O4/c1-31-24(30)14-19-13-23(29)27(21-9-5-4-8-20(21)25-19)15-22(28)26-18-11-10-16-6-2-3-7-17(16)12-18/h2-13,25H,14-15H2,1H3,(H,26,28)

InChI Key

ZAKVLKWHVDGEJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.273

Water Solubility, LogSw

-3.93

Polar Surface Area

71.033

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

F404-0090 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F404-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F404-0090?
Check Price and Availability of F404-0090, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F404-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F404-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F404-0090
  • 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 F404-0090 available by request