F404-0385 Screening compound: ethyl 2-[5-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of ChemDiv screening compound F404-0385
ethyl 2-[5-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-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
F404-0385
Molecular Formula
C25H33N3O4 (C25 H33 N3 O4)
Compound Name
ethyl 2-[5-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl]acetate
IUPAC name
ethyl 2-[5-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-78-dimethyl-4-oxo-45-dihydro-1H-15-benzodiazepin-2-yl]acetate
SMILES
CCOC(CC(Nc(cc(C)c(C)c1)c1N1CC(NCCC2=CCCCC2)=O)=CC1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
439.55
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.550
Distribution Coefficient, logD
3.221
Water Solubility, LogSw
-3.75
Polar Surface Area
72.240
Acid Dissociation Constant (pKa)
7.35
Base Dissociation Constant (pKb)
3.63
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
48.00
F404-0385 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)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cancer
- Female
- Congenital
- Skin
- Kinases
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with F404-0385 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of F404-0385, 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.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)