CM2409-2495 Screening compound: 7-(2-ethylbutanoyl)-2-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-one

CM2409-2495 Screening compound: 7-(2-ethylbutanoyl)-2-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-one
CM2409-2495 Screening compound: 7-(2-ethylbutanoyl)-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 CM2409-2495
7-(2-ethylbutanoyl)-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

CM2409-2495

Molecular Formula

C17H27N3O3 (C17 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC)C(N(CC1)CCC(N=C(CCOC)N2)=C1C2=O)=O

InChI

InChI=1S/C17H27N3O3/c1-4-12(5-2)17(22)20-9-6-13-14(7-10-20)18-15(8-11-23-3)19-16(13)21/h12H,4-11H2,1-3H3,(H,18,19,21)

InChI Key

GMOQXUNVKRUBFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30460125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.168

Distribution Coefficient, logD

1.164

Water Solubility, LogSw

-1.99

Polar Surface Area

60.544

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.59

CM2409-2495 in Drug Discovery

Included in Screening Libraries

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 CM2409-2495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2409-2495?
Check Price and Availability of CM2409-2495, 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 CM2409-2495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2409-2495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2409-2495
  • 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 CM2409-2495 available by request