S796-0026 Screening compound: 5-(5-methylthiophene-2-carbonyl)-4-phenyl-1,5-diazacycloundecan-2-one

S796-0026 Screening compound: 5-(5-methylthiophene-2-carbonyl)-4-phenyl-1,5-diazacycloundecan-2-one
S796-0026 Screening compound: 5-(5-methylthiophene-2-carbonyl)-4-phenyl-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S796-0026
5-(5-methylthiophene-2-carbonyl)-4-phenyl-1,5-diazacycloundecan-2-one

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

S796-0026

Molecular Formula

C21H26N2O2S (C21 H26 N2 O2 S)

Compound Name

5-(5-methylthiophene-2-carbonyl)-4-phenyl-1,5-diazacycloundecan-2-one

IUPAC name

5-(5-methylthiophene-2-carbonyl)-4-phenyl-15-diazacycloundecan-2-one

SMILES

Cc1ccc(C(N(CCCCCCNC(C2)=O)C2c2ccccc2)=O)s1

InChI

InChI=1S/C21H26N2O2S/c1-16-11-12-19(26-16)21(25)23-14-8-3-2-7-13-22-20(24)15-18(23)17-9-5-4-6-10-17/h4-6,9-12,18H,2-3,7-8,13-15H2,1H3,(H,22,24)/t18-/m0/s1

InChI Key

LOVOCEFGDSOLIT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30464177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-3.73

Polar Surface Area

42.682

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S796-0026 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S796-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S796-0026?
Check Price and Availability of S796-0026, 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 S796-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S796-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S796-0026
  • 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 S796-0026 available by request