CM4612-0644 Screening compound: N-[2-(5-{1-[2-(1-azepanyl)acetyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylmethanesulfonamide

CM4612-0644 Screening compound: N-[2-(5-{1-[2-(1-azepanyl)acetyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylmethanesulfonamide
CM4612-0644 Screening compound: N-[2-(5-{1-[2-(1-azepanyl)acetyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4612-0644
N-[2-(5-{1-[2-(1-azepanyl)acetyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylmethanesulfonamide

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

CM4612-0644

Molecular Formula

C17H29N5O4S (C17 H29 N5 O4 S)

Compound Name

N-[2-(5-{1-[2-(1-azepanyl)acetyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylmethanesulfonamide

IUPAC name

n/a

SMILES

CN(CCc1noc(C(C2)CN2C(CN2CCCCCC2)=O)n1)S(C)(=O)=O

InChI

InChI=1S/C17H29N5O4S/c1-20(27(2,24)25)10-7-15-18-17(26-19-15)14-11-22(12-14)16(23)13-21-8-5-3-4-6-9-21/h14H,3-13H2,1-2H3

InChI Key

RTCSLSUDQCOBRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.676

Distribution Coefficient, logD

-0.484

Water Solubility, LogSw

-1.38

Polar Surface Area

85.867

Acid Dissociation Constant (pKa)

24.18

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

82.40

CM4612-0644 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 CM4612-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4612-0644?
Check Price and Availability of CM4612-0644, 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 CM4612-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4612-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4612-0644
  • 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 CM4612-0644 available by request