F403-0096 Screening compound: N-isopropyl-2-[10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide

F403-0096 Screening compound: N-isopropyl-2-[10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide
F403-0096 Screening compound: N-isopropyl-2-[10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F403-0096
N-isopropyl-2-[10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide

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

F403-0096

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

N-isopropyl-2-[10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide

IUPAC name

2-{8-oxo-29-diazatricyclo[8.4.0.0^{37}]tetradeca-1(10)21113-tetraen-9-yl}-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CN(c(cccc1)c1N=C1C2CCC1)C2=O)=O

InChI

InChI=1S/C17H21N3O2/c1-11(2)18-16(21)10-20-15-9-4-3-7-14(15)19-13-8-5-6-12(13)17(20)22/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H,18,21)/t12-/m0/s1

InChI Key

IFXHHWFTMXMPSU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27124779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.502

Distribution Coefficient, logD

1.502

Water Solubility, LogSw

-2.39

Polar Surface Area

48.081

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

F403-0096 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)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with F403-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F403-0096?
Check Price and Availability of F403-0096, 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 F403-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F403-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F403-0096
  • 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 F403-0096 available by request