S796-0404 Screening compound: 2-[2-OXO-1,3-BENZOXAZOL-3(2H)-YL]-N~1~-[2-OXO-2-(4-OXO-2-PHENYL-1,5-DIAZACYCLOUNDECANYL)ETHYL]ACETAMIDE

S796-0404 Screening compound: 2-[2-OXO-1,3-BENZOXAZOL-3(2H)-YL]-N~1~-[2-OXO-2-(4-OXO-2-PHENYL-1,5-DIAZACYCLOUNDECANYL)ETHYL]ACETAMIDE
S796-0404 Screening compound: 2-[2-OXO-1,3-BENZOXAZOL-3(2H)-YL]-N~1~-[2-OXO-2-(4-OXO-2-PHENYL-1,5-DIAZACYCLOUNDECANYL)ETHYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S796-0404
2-[2-OXO-1,3-BENZOXAZOL-3(2H)-YL]-N~1~-[2-OXO-2-(4-OXO-2-PHENYL-1,5-DIAZACYCLOUNDECANYL)ETHYL]ACETAMIDE

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

S796-0404

Molecular Formula

C26H30N4O5 (C26 H30 N4 O5)

Compound Name

2-[2-OXO-1,3-BENZOXAZOL-3(2H)-YL]-N~1~-[2-OXO-2-(4-OXO-2-PHENYL-1,5-DIAZACYCLOUNDECANYL)ETHYL]ACETAMIDE

IUPAC name

2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-15-diazacycloundecan-1-yl)ethyl]acetamide

SMILES

O=C(CN(c(cccc1)c1O1)C1=O)NCC(N(CCCCCCNC(C1)=O)C1c1ccccc1)=O

InChI

InChI=1S/C26H30N4O5/c31-23-16-21(19-10-4-3-5-11-19)29(15-9-2-1-8-14-27-23)25(33)17-28-24(32)18-30-20-12-6-7-13-22(20)35-26(30)34/h3-7,10-13,21H,1-2,8-9,14-18H2,(H,27,31)(H,28,32)/t21-/m0/s1

InChI Key

FXHLVYMNEWFXKP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD30464409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.998

Distribution Coefficient, logD

1.998

Water Solubility, LogSw

-2.62

Polar Surface Area

88.708

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

S796-0404 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 S796-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S796-0404?
Check Price and Availability of S796-0404, 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 S796-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S796-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S796-0404
  • 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 S796-0404 available by request