F405-0314 Screening compound: ethyl 2-(4-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate

F405-0314 Screening compound: ethyl 2-(4-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
F405-0314 Screening compound: ethyl 2-(4-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F405-0314
ethyl 2-(4-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-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

F405-0314

Molecular Formula

C25H28N4O3S (C25 H28 N4 O3 S)

Compound Name

ethyl 2-(4-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate

IUPAC name

ethyl 2-(4-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H-15-benzodiazepin-2-yl)acetate

SMILES

CCOC(CC1=CC(SCC(N(CC2)CCN2c2ccccc2)=O)=Nc(cccc2)c2N1)=O

InChI

InChI=1S/C25H28N4O3S/c1-2-32-25(31)17-19-16-23(27-22-11-7-6-10-21(22)26-19)33-18-24(30)29-14-12-28(13-15-29)20-8-4-3-5-9-20/h3-11,16,26H,2,12-15,17-18H2,1H3

InChI Key

JUABTXKDYYIVIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.676

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-3.85

Polar Surface Area

60.987

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F405-0314 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F405-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F405-0314?
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What is the minimum amount of F405-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F405-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F405-0314
  • 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 F405-0314 available by request