CM4207-2335 Screening compound: 4-(2-{3-cyclopentyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamido)benzamide

CM4207-2335 Screening compound: 4-(2-{3-cyclopentyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamido)benzamide
CM4207-2335 Screening compound: 4-(2-{3-cyclopentyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4207-2335
4-(2-{3-cyclopentyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamido)benzamide

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

CM4207-2335

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

4-(2-{3-cyclopentyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamido)benzamide

IUPAC name

4-(2-{3-cyclopentyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}acetamido)benzamide

SMILES

NC(c(cc1)ccc1NC(CC1CCn2c(C3CCCC3)nnc2CC1)=O)=O

InChI

InChI=1S/C21H27N5O2/c22-20(28)15-6-8-17(9-7-15)23-19(27)13-14-5-10-18-24-25-21(26(18)12-11-14)16-3-1-2-4-16/h6-9,14,16H,1-5,10-13H2,(H2,22,28)(H,23,27)/t14-/m0/s1

InChI Key

CMMQRQDWCFJIAO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30458630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.234

Distribution Coefficient, logD

2.217

Water Solubility, LogSw

-2.90

Polar Surface Area

82.757

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

CM4207-2335 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with CM4207-2335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4207-2335?
Check Price and Availability of CM4207-2335, 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 CM4207-2335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4207-2335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4207-2335
  • 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 CM4207-2335 available by request