CM2409-0337 Screening compound: 7-(5-chlorothiophene-2-carbonyl)-2-methyl-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-one

CM2409-0337 Screening compound: 7-(5-chlorothiophene-2-carbonyl)-2-methyl-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-one
CM2409-0337 Screening compound: 7-(5-chlorothiophene-2-carbonyl)-2-methyl-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2409-0337
7-(5-chlorothiophene-2-carbonyl)-2-methyl-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

CM2409-0337

Molecular Formula

C14H14ClN3O2S (C14 H14 ClN3 O2 S)

Compound Name

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

IUPAC name

7-(5-chlorothiophene-2-carbonyl)-2-methyl-3H4H5H6H7H8H9H-pyrimido[45-d]azepin-4-one

SMILES

CC(N1)=NC(CCN(CC2)C(c(s3)ccc3Cl)=O)=C2C1=O

InChI

InChI=1S/C14H14ClN3O2S/c1-8-16-10-5-7-18(6-4-9(10)13(19)17-8)14(20)11-2-3-12(15)21-11/h2-3H,4-7H2,1H3,(H,16,17,19)

InChI Key

RFKYZXADHWJRGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30467050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.547

Distribution Coefficient, logD

1.545

Water Solubility, LogSw

-2.76

Polar Surface Area

51.611

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

CM2409-0337 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 CM2409-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2409-0337?
Check Price and Availability of CM2409-0337, 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 CM2409-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2409-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2409-0337
  • 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 CM2409-0337 available by request