CM4205-5204 Screening compound: N-(4-chloro-3-fluorobenzyl)-N-methyl-N-(3-tetrahydro-2H-pyran-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)amine

CM4205-5204 Screening compound: N-(4-chloro-3-fluorobenzyl)-N-methyl-N-(3-tetrahydro-2H-pyran-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)amine
CM4205-5204 Screening compound: N-(4-chloro-3-fluorobenzyl)-N-methyl-N-(3-tetrahydro-2H-pyran-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4205-5204
N-(4-chloro-3-fluorobenzyl)-N-methyl-N-(3-tetrahydro-2H-pyran-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)amine

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

CM4205-5204

Molecular Formula

C20H26ClFN4O (C20 H26 ClFN4 O)

Compound Name

N-(4-chloro-3-fluorobenzyl)-N-methyl-N-(3-tetrahydro-2H-pyran-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)amine

IUPAC name

N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-(oxan-4-yl)-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-amine

SMILES

CN(Cc(cc1)cc(F)c1Cl)C1CCn2c(C3CCOCC3)nnc2CC1

InChI

InChI=1S/C20H26ClFN4O/c1-25(13-14-2-4-17(21)18(22)12-14)16-3-5-19-23-24-20(26(19)9-6-16)15-7-10-27-11-8-15/h2,4,12,15-16H,3,5-11,13H2,1H3/t16-/m0/s1

InChI Key

SEWCCMNNCBCDLU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30458569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.045

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-3.39

Polar Surface Area

35.959

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

CM4205-5204 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)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with CM4205-5204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4205-5204?
Check Price and Availability of CM4205-5204, 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 CM4205-5204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4205-5204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4205-5204
  • 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 CM4205-5204 available by request