F405-0911 Screening compound: ethyl 2-[4-({[(2,3-dihydro-1H-inden-1-yl)carbamoyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate

F405-0911 Screening compound: ethyl 2-[4-({[(2,3-dihydro-1H-inden-1-yl)carbamoyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
F405-0911 Screening compound: ethyl 2-[4-({[(2,3-dihydro-1H-inden-1-yl)carbamoyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F405-0911
ethyl 2-[4-({[(2,3-dihydro-1H-inden-1-yl)carbamoyl]methyl}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

F405-0911

Molecular Formula

C24H25N3O3S (C24 H25 N3 O3 S)

Compound Name

ethyl 2-[4-({[(2,3-dihydro-1H-inden-1-yl)carbamoyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate

IUPAC name

ethyl 2-[4-({[(23-dihydro-1H-inden-1-yl)carbamoyl]methyl}sulfanyl)-1H-15-benzodiazepin-2-yl]acetate

SMILES

CCOC(CC1=CC(SCC(NC(CC2)c3c2cccc3)=O)=Nc(cccc2)c2N1)=O

InChI

InChI=1S/C24H25N3O3S/c1-2-30-24(29)14-17-13-23(27-21-10-6-5-9-20(21)25-17)31-15-22(28)26-19-12-11-16-7-3-4-8-18(16)19/h3-10,13,19,25H,2,11-12,14-15H2,1H3,(H,26,28)/t19-/m0/s1

InChI Key

AXNZOGZIIATMJP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD22597509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.01

Polar Surface Area

66.016

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

F405-0911 in Drug Discovery

Included in Screening Libraries

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

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 F405-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F405-0911?
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What is the minimum amount of F405-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F405-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F405-0911
  • 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 F405-0911 available by request