F405-0696 Screening compound: ethyl 2-[4-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl]acetate

F405-0696 Screening compound: ethyl 2-[4-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl]acetate
F405-0696 Screening compound: ethyl 2-[4-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F405-0696
ethyl 2-[4-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-7,8-dimethyl-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

F405-0696

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

ethyl 2-[4-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl]acetate

IUPAC name

ethyl 2-[4-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-78-dimethyl-1H-15-benzodiazepin-2-yl]acetate

SMILES

CCOC(CC1=CC(SCC(Nc(cccc2)c2OCC)=O)=Nc(cc(C)c(C)c2)c2N1)=O

InChI

InChI=1S/C25H29N3O4S/c1-5-31-22-10-8-7-9-19(22)27-23(29)15-33-24-13-18(14-25(30)32-6-2)26-20-11-16(3)17(4)12-21(20)28-24/h7-13,26H,5-6,14-15H2,1-4H3,(H,27,29)

InChI Key

WGAKPOXFQJODRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.884

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-4.50

Polar Surface Area

70.996

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F405-0696 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

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
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with F405-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F405-0696?
Check Price and Availability of F405-0696, 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 F405-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F405-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F405-0696
  • 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 F405-0696 available by request