F403-0313 Screening compound: 9-(3,5-difluorobenzyl)-6,7-dimethyl-2,3,9,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-10(1H)-one

F403-0313 Screening compound: 9-(3,5-difluorobenzyl)-6,7-dimethyl-2,3,9,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-10(1H)-one
F403-0313 Screening compound: 9-(3,5-difluorobenzyl)-6,7-dimethyl-2,3,9,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-10(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F403-0313
9-(3,5-difluorobenzyl)-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

F403-0313

Molecular Formula

C21H20F2N2O (C21 H20 F2 N2 O)

Compound Name

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

IUPAC name

9-[(35-difluorophenyl)methyl]-1213-dimethyl-29-diazatricyclo[8.4.0.0^{37}]tetradeca-1(10)21113-tetraen-8-one

SMILES

Cc(c(C)c1)cc(N2Cc3cc(F)cc(F)c3)c1N=C(CCC1)C1C2=O

InChI

InChI=1S/C21H20F2N2O/c1-12-6-19-20(7-13(12)2)25(11-14-8-15(22)10-16(23)9-14)21(26)17-4-3-5-18(17)24-19/h6-10,17H,3-5,11H2,1-2H3/t17-/m0/s1

InChI Key

MQYJTZIEOKJSCE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27124915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.784

Distribution Coefficient, logD

4.784

Water Solubility, LogSw

-4.50

Polar Surface Area

24.364

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F403-0313 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Anti-HIV1 Library (19540 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F403-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F403-0313?
Check Price and Availability of F403-0313, 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 F403-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F403-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F403-0313
  • 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 F403-0313 available by request