Screening compound: C22H23ClFN5O (S039-4137)

Screening compound: C<sub>22</sub>H<sub>23</sub>ClFN<sub>5</sub>O (S039-4137)
Screening compound: C<sub>22</sub>H<sub>23</sub>ClFN<sub>5</sub>O (S039-4137) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C22H23ClFN5O (S039-4137)

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

S039-4137

Molecular Formula

C22H23ClFN5O (C22 H23 ClFN5 O)

Compound Name

7-[(4-CHLORO-2-FLUOROPHENYL)METHYL]-2-{METHYL[(PYRIDIN-3-YL)METHYL]AMINO}-3H,4H,5H,6H,7H,8H,9H-PYRIMIDO[4,5-D]AZEPIN-4-ONE

IUPAC name

n/a

SMILES

CN(Cc1cnccc1)C(N1)=NC(CCN(Cc(ccc(Cl)c2)c2F)CC2)=C2C1=O

InChI

InChI=1S/C22H23ClFN5O/c1-28(13-15-3-2-8-25-12-15)22-26-20-7-10-29(9-6-18(20)21(30)27-22)14-16-4-5-17(23)11-19(16)24/h2-5,8,11-12H,6-7,9-10,13-14H2,1H3,(H,26,27,30)

InChI Key

IUAHEOADWBPHJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28999136

C22H23ClFN5O (S039-4137) in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C22H23ClFN5O (S039-4137) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C22H23ClFN5O (S039-4137)?
Check Price and Availability of C22H23ClFN5O (S039-4137), 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 C22H23ClFN5O (S039-4137) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C22H23ClFN5O (S039-4137)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C22H23ClFN5O (S039-4137)
  • 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 C22H23ClFN5O (S039-4137) available by request