S782-3221 Screening compound: N~1~-benzyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide

S782-3221 Screening compound: N~1~-benzyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide
S782-3221 Screening compound: N~1~-benzyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S782-3221
N~1~-benzyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide

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

S782-3221

Molecular Formula

C18H27N3O2 (C18 H27 N3 O2)

Compound Name

N~1~-benzyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide

IUPAC name

N-benzyl-5-methyl-4-oxo-15-diazacycloundecane-1-carboxamide

SMILES

CN(CCCCCCN(CC1)C(NCc2ccccc2)=O)C1=O

InChI

InChI=1S/C18H27N3O2/c1-20-12-7-2-3-8-13-21(14-11-17(20)22)18(23)19-15-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3,(H,19,23)

InChI Key

WALFBEUJCINGDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30461665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.645

Distribution Coefficient, logD

1.645

Water Solubility, LogSw

-1.86

Polar Surface Area

44.052

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S782-3221 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S782-3221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S782-3221?
Check Price and Availability of S782-3221, 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 S782-3221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S782-3221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S782-3221
  • 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 S782-3221 available by request