S796-0452 Screening compound: 1-METHYL-N-[2-OXO-2-(4-OXO-2-PHENYL-1,5-DIAZACYCLOUNDECAN-1-YL)ETHYL]-1H-IMIDAZOLE-2-CARBOXAMIDE

S796-0452 Screening compound: 1-METHYL-N-[2-OXO-2-(4-OXO-2-PHENYL-1,5-DIAZACYCLOUNDECAN-1-YL)ETHYL]-1H-IMIDAZOLE-2-CARBOXAMIDE
S796-0452 Screening compound: 1-METHYL-N-[2-OXO-2-(4-OXO-2-PHENYL-1,5-DIAZACYCLOUNDECAN-1-YL)ETHYL]-1H-IMIDAZOLE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S796-0452
1-METHYL-N-[2-OXO-2-(4-OXO-2-PHENYL-1,5-DIAZACYCLOUNDECAN-1-YL)ETHYL]-1H-IMIDAZOLE-2-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

S796-0452

Molecular Formula

C22H29N5O3 (C22 H29 N5 O3)

Compound Name

1-METHYL-N-[2-OXO-2-(4-OXO-2-PHENYL-1,5-DIAZACYCLOUNDECAN-1-YL)ETHYL]-1H-IMIDAZOLE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cn1c(C(NCC(N(CCCCCCNC(C2)=O)C2c2ccccc2)=O)=O)ncc1

InChI

InChI=1S/C22H29N5O3/c1-26-14-12-24-21(26)22(30)25-16-20(29)27-13-8-3-2-7-11-23-19(28)15-18(27)17-9-5-4-6-10-17/h4-6,9-10,12,14,18H,2-3,7-8,11,13,15-16H2,1H3,(H,23,28)(H,25,30)/t18-/m0/s1

InChI Key

DJTPDYLUDFGEPX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30464424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.770

Distribution Coefficient, logD

0.770

Water Solubility, LogSw

-1.57

Polar Surface Area

78.158

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

S796-0452 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S796-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S796-0452?
Check Price and Availability of S796-0452, 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 S796-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S796-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S796-0452
  • 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 S796-0452 available by request