CM2409-5549 Screening compound: 2-(4-{[4-oxo-2-(2-pyrazinyl)-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl]methyl}phenoxy)acetamide

CM2409-5549 Screening compound: 2-(4-{[4-oxo-2-(2-pyrazinyl)-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl]methyl}phenoxy)acetamide
CM2409-5549 Screening compound: 2-(4-{[4-oxo-2-(2-pyrazinyl)-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl]methyl}phenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2409-5549
2-(4-{[4-oxo-2-(2-pyrazinyl)-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl]methyl}phenoxy)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

CM2409-5549

Molecular Formula

C21H22N6O3 (C21 H22 N6 O3)

Compound Name

2-(4-{[4-oxo-2-(2-pyrazinyl)-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl]methyl}phenoxy)acetamide

IUPAC name

2-(4-{[4-oxo-2-(pyrazin-2-yl)-3H4H5H6H7H8H9H-pyrimido[45-d]azepin-7-yl]methyl}phenoxy)acetamide

SMILES

NC(COc1ccc(CN(CC2)CCC(N=C(c3nccnc3)N3)=C2C3=O)cc1)=O

InChI

InChI=1S/C21H22N6O3/c22-19(28)13-30-15-3-1-14(2-4-15)12-27-9-5-16-17(6-10-27)25-20(26-21(16)29)18-11-23-7-8-24-18/h1-4,7-8,11H,5-6,9-10,12-13H2,(H2,22,28)(H,25,26,29)

InChI Key

GFTKEEZZQOQAKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.492

Distribution Coefficient, logD

-0.492

Water Solubility, LogSw

-1.46

Polar Surface Area

98.186

Acid Dissociation Constant (pKa)

6.81

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

CM2409-5549 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with CM2409-5549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2409-5549?
Check Price and Availability of CM2409-5549, 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 CM2409-5549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2409-5549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2409-5549
  • 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 CM2409-5549 available by request