CM2409-2751 Screening compound: 7-(2-cyclohexylacetyl)-2-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-one

CM2409-2751 Screening compound: 7-(2-cyclohexylacetyl)-2-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-one
CM2409-2751 Screening compound: 7-(2-cyclohexylacetyl)-2-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2409-2751
7-(2-cyclohexylacetyl)-2-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-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

CM2409-2751

Molecular Formula

C19H29N3O3 (C19 H29 N3 O3)

Compound Name

7-(2-cyclohexylacetyl)-2-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-one

IUPAC name

7-(2-cyclohexylacetyl)-2-(2-methoxyethyl)-3H4H5H6H7H8H9H-pyrimido[45-d]azepin-4-one

SMILES

COCCC(N1)=NC(CCN(CC2)C(CC3CCCCC3)=O)=C2C1=O

InChI

InChI=1S/C19H29N3O3/c1-25-12-9-17-20-16-8-11-22(10-7-15(16)19(24)21-17)18(23)13-14-5-3-2-4-6-14/h14H,2-13H2,1H3,(H,20,21,24)

InChI Key

ZKUVNABFVTVIDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.646

Distribution Coefficient, logD

1.642

Water Solubility, LogSw

-2.22

Polar Surface Area

59.937

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.68

CM2409-2751 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with CM2409-2751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2409-2751?
Check Price and Availability of CM2409-2751, 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 CM2409-2751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2409-2751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2409-2751
  • 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 CM2409-2751 available by request