F404-0082 Screening compound: methyl 2-[5-(2-{[2-(1-cyclohexenyl)ethyl]amino}-2-oxoethyl)-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl]acetate

F404-0082 Screening compound: methyl 2-[5-(2-{[2-(1-cyclohexenyl)ethyl]amino}-2-oxoethyl)-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl]acetate
F404-0082 Screening compound: methyl 2-[5-(2-{[2-(1-cyclohexenyl)ethyl]amino}-2-oxoethyl)-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F404-0082
methyl 2-[5-(2-{[2-(1-cyclohexenyl)ethyl]amino}-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

F404-0082

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(CC(Nc(cccc1)c1N1CC(NCCC2=CCCCC2)=O)=CC1=O)=O

InChI

InChI=1S/C22H27N3O4/c1-29-22(28)14-17-13-21(27)25(19-10-6-5-9-18(19)24-17)15-20(26)23-12-11-16-7-3-2-4-8-16/h5-7,9-10,13,24H,2-4,8,11-12,14-15H2,1H3,(H,23,26)

InChI Key

AVSKZMDKSABVLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

1.780

Water Solubility, LogSw

-2.72

Polar Surface Area

72.660

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

F404-0082 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with F404-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F404-0082?
Check Price and Availability of F404-0082, 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 F404-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F404-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F404-0082
  • 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 F404-0082 available by request