S733-0904 Screening compound: N-benzyl-1-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide

S733-0904 Screening compound: N-benzyl-1-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
S733-0904 Screening compound: N-benzyl-1-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S733-0904
N-benzyl-1-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-4-oxo-1,5-diazacycloundecane-8-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

S733-0904

Molecular Formula

C31H40N4O4 (C31 H40 N4 O4)

Compound Name

N-benzyl-1-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide

IUPAC name

N-benzyl-1-({3-[(35-dimethyl-12-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-4-oxo-15-diazacycloundecane-8-carboxamide

SMILES

Cc1noc(C)c1Cc(cc(CN(CCCC(CCN1)C(NCc2ccccc2)=O)CCC1=O)cc1)c1OC

InChI

InChI=1S/C31H40N4O4/c1-22-28(23(2)39-34-22)19-27-18-25(11-12-29(27)38-3)21-35-16-7-10-26(13-15-32-30(36)14-17-35)31(37)33-20-24-8-5-4-6-9-24/h4-6,8-9,11-12,18,26H,7,10,13-17,19-21H2,1-3H3,(H,32,36)(H,33,37)/t26-/m0/s1

InChI Key

CAXBFYHFHKPNEB-SANMLTNESA-N

MDL Number (MFCD)

MFCD30461272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.478

Distribution Coefficient, logD

2.109

Water Solubility, LogSw

-2.81

Polar Surface Area

83.136

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.16

S733-0904 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Macrocycles Library (2450 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

PD-1/L1 Library (498 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with S733-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S733-0904?
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What is the minimum amount of S733-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S733-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S733-0904
  • 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 S733-0904 available by request