F403-0261 Screening compound: 9-(3-methoxybenzyl)-6,7-dimethyl-2,3,9,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-10(1H)-one

F403-0261 Screening compound: 9-(3-methoxybenzyl)-6,7-dimethyl-2,3,9,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-10(1H)-one
F403-0261 Screening compound: 9-(3-methoxybenzyl)-6,7-dimethyl-2,3,9,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-10(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F403-0261
9-(3-methoxybenzyl)-6,7-dimethyl-2,3,9,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-10(1H)-one

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

F403-0261

Molecular Formula

C22H24N2O2 (C22 H24 N2 O2)

Compound Name

9-(3-methoxybenzyl)-6,7-dimethyl-2,3,9,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-10(1H)-one

IUPAC name

9-[(3-methoxyphenyl)methyl]-1213-dimethyl-29-diazatricyclo[8.4.0.0^{37}]tetradeca-1(10)21113-tetraen-8-one

SMILES

Cc(c(C)c1)cc(N2Cc3cc(OC)ccc3)c1N=C(CCC1)C1C2=O

InChI

InChI=1S/C22H24N2O2/c1-14-10-20-21(11-15(14)2)24(13-16-6-4-7-17(12-16)26-3)22(25)18-8-5-9-19(18)23-20/h4,6-7,10-12,18H,5,8-9,13H2,1-3H3/t18-/m0/s1

InChI Key

MTSCOKFYMOYRPM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27124877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.46

Polar Surface Area

31.907

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

F403-0261 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 F403-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F403-0261?
Check Price and Availability of F403-0261, 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 F403-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F403-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F403-0261
  • 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 F403-0261 available by request