F404-0536 Screening compound: methyl 2-[5-(2-{[2-(1-cyclohexenyl)ethyl]amino}-2-oxoethyl)-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl]acetate

F404-0536 Screening compound: methyl 2-[5-(2-{[2-(1-cyclohexenyl)ethyl]amino}-2-oxoethyl)-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl]acetate
F404-0536 Screening compound: methyl 2-[5-(2-{[2-(1-cyclohexenyl)ethyl]amino}-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 F404-0536
methyl 2-[5-(2-{[2-(1-cyclohexenyl)ethyl]amino}-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

F404-0536

Molecular Formula

C24H31N3O4 (C24 H31 N3 O4)

Compound Name

methyl 2-[5-(2-{[2-(1-cyclohexenyl)ethyl]amino}-2-oxoethyl)-7,8-dimethyl-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)-78-dimethyl-4-oxo-45-dihydro-1H-15-benzodiazepin-2-yl]acetate

SMILES

Cc(c(C)c1)cc(NC(CC(OC)=O)=C2)c1N(CC(NCCC1=CCCCC1)=O)C2=O

InChI

InChI=1S/C24H31N3O4/c1-16-11-20-21(12-17(16)2)27(23(29)13-19(26-20)14-24(30)31-3)15-22(28)25-10-9-18-7-5-4-6-8-18/h7,11-13,26H,4-6,8-10,14-15H2,1-3H3,(H,25,28)

InChI Key

KSSYLLKATAFVKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

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

3.097

Distribution Coefficient, logD

2.768

Water Solubility, LogSw

-3.32

Polar Surface Area

72.660

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.83

F404-0536 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F404-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F404-0536?
Check Price and Availability of F404-0536, 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 F404-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F404-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F404-0536
  • 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 F404-0536 available by request