Screening compound: C21H28N4O4 (S039-3137)

Screening compound: C<sub>21</sub>H<sub>28</sub>N<sub>4</sub>O<sub>4</sub> (S039-3137)
Screening compound: C<sub>21</sub>H<sub>28</sub>N<sub>4</sub>O<sub>4</sub> (S039-3137) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C21H28N4O4 (S039-3137)

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

S039-3137

Molecular Formula

C21H28N4O4 (C21 H28 N4 O4)

Compound Name

7-[(2,3-dimethoxyphenyl)methyl]-2-(morpholin-4-yl)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-one

IUPAC name

7-[(23-dimethoxyphenyl)methyl]-2-(morpholin-4-yl)-3H4H5H6H7H8H9H-pyrimido[45-d]azepin-4-one

SMILES

COc1cccc(CN(CC2)CCC(N=C(N3)N4CCOCC4)=C2C3=O)c1OC

InChI

InChI=1S/C21H28N4O4/c1-27-18-5-3-4-15(19(18)28-2)14-24-8-6-16-17(7-9-24)22-21(23-20(16)26)25-10-12-29-13-11-25/h3-5H,6-14H2,1-2H3,(H,22,23,26)

InChI Key

YDIULXYZMOYAMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28999077

C21H28N4O4 (S039-3137) in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

PI3K-Targeted Library (17255 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C21H28N4O4 (S039-3137) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C21H28N4O4 (S039-3137)?
Check Price and Availability of C21H28N4O4 (S039-3137), 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 C21H28N4O4 (S039-3137) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C21H28N4O4 (S039-3137)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C21H28N4O4 (S039-3137)
  • 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 C21H28N4O4 (S039-3137) available by request