CM4212-1045 Screening compound: 2-[1-(cyclopropylmethyl)-7-oxo-4-azepanyl]-N-phenylacetamide

CM4212-1045 Screening compound: 2-[1-(cyclopropylmethyl)-7-oxo-4-azepanyl]-N-phenylacetamide
CM4212-1045 Screening compound: 2-[1-(cyclopropylmethyl)-7-oxo-4-azepanyl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4212-1045
2-[1-(cyclopropylmethyl)-7-oxo-4-azepanyl]-N-phenylacetamide

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

CM4212-1045

Molecular Formula

C18H24N2O2 (C18 H24 N2 O2)

Compound Name

2-[1-(cyclopropylmethyl)-7-oxo-4-azepanyl]-N-phenylacetamide

IUPAC name

2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]-N-phenylacetamide

SMILES

O=C(CC(CC1)CCN(CC2CC2)C1=O)Nc1ccccc1

InChI

InChI=1S/C18H24N2O2/c21-17(19-16-4-2-1-3-5-16)12-14-8-9-18(22)20(11-10-14)13-15-6-7-15/h1-5,14-15H,6-13H2,(H,19,21)/t14-/m1/s1

InChI Key

DFRKCGLAGAROLG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD30467363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.649

Distribution Coefficient, logD

2.649

Water Solubility, LogSw

-3.12

Polar Surface Area

40.867

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

CM4212-1045 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with CM4212-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4212-1045?
Check Price and Availability of CM4212-1045, 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 CM4212-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4212-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4212-1045
  • 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 CM4212-1045 available by request