CM4206-0844 Screening compound: N-methyl-4-(2-methylpropyl)-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzene-1-sulfonamide

CM4206-0844 Screening compound: N-methyl-4-(2-methylpropyl)-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzene-1-sulfonamide
CM4206-0844 Screening compound: N-methyl-4-(2-methylpropyl)-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4206-0844
N-methyl-4-(2-methylpropyl)-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzene-1-sulfonamide

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

CM4206-0844

Molecular Formula

C18H26N4O3S (C18 H26 N4 O3 S)

Compound Name

N-methyl-4-(2-methylpropyl)-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzene-1-sulfonamide

IUPAC name

N-methyl-4-(2-methylpropyl)-N-{3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}benzene-1-sulfonamide

SMILES

CC(C)Cc(cc1)ccc1S(N(C)C(CCC1=NN2)CCN1C2=O)(=O)=O

InChI

InChI=1S/C18H26N4O3S/c1-13(2)12-14-4-7-16(8-5-14)26(24,25)21(3)15-6-9-17-19-20-18(23)22(17)11-10-15/h4-5,7-8,13,15H,6,9-12H2,1-3H3,(H,20,23)/t15-/m0/s1

InChI Key

AZLQCCQFHXVXLM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30467291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.492

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-3.84

Polar Surface Area

74.579

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

CM4206-0844 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM4206-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4206-0844?
Check Price and Availability of CM4206-0844, 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 CM4206-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4206-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4206-0844
  • 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 CM4206-0844 available by request