CM4212-1134 Screening compound: 2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]-N-{[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}acetamide

CM4212-1134 Screening compound: 2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]-N-{[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}acetamide
CM4212-1134 Screening compound: 2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]-N-{[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4212-1134
2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]-N-{[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}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

CM4212-1134

Molecular Formula

C23H30N4O3 (C23 H30 N4 O3)

Compound Name

2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]-N-{[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}acetamide

IUPAC name

2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]-N-{[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}acetamide

SMILES

COc1cccc(-c2c(CNC(CC(CC3)CCN(CC4CC4)C3=O)=O)cn[nH]2)c1

InChI

InChI=1S/C23H30N4O3/c1-30-20-4-2-3-18(12-20)23-19(14-25-26-23)13-24-21(28)11-16-7-8-22(29)27(10-9-16)15-17-5-6-17/h2-4,12,14,16-17H,5-11,13,15H2,1H3,(H,24,28)(H,25,26)/t16-/m1/s1

InChI Key

DSNRSAOCKGDJNF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD30467365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.881

Distribution Coefficient, logD

2.881

Water Solubility, LogSw

-3.31

Polar Surface Area

73.923

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.17

CM4212-1134 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with CM4212-1134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4212-1134?
Check Price and Availability of CM4212-1134, 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 CM4212-1134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4212-1134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4212-1134
  • 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 CM4212-1134 available by request