S733-1264 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide

S733-1264 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
S733-1264 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S733-1264
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-oxo-N-[(pyridin-4-yl)methyl]-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

S733-1264

Molecular Formula

C21H29N5O5S (C21 H29 N5 O5 S)

Compound Name

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide

IUPAC name

1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-4-oxo-N-[(pyridin-4-yl)methyl]-15-diazacycloundecane-8-carboxamide

SMILES

Cc1noc(C)c1S(N(CCCC(CCN1)C(NCc2ccncc2)=O)CCC1=O)(=O)=O

InChI

InChI=1S/C21H29N5O5S/c1-15-20(16(2)31-25-15)32(29,30)26-12-3-4-18(7-11-23-19(27)8-13-26)21(28)24-14-17-5-9-22-10-6-17/h5-6,9-10,18H,3-4,7-8,11-14H2,1-2H3,(H,23,27)(H,24,28)/t18-/m0/s1

InChI Key

IVXSGBBEZLGFOY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30461949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.303

Distribution Coefficient, logD

-1.307

Water Solubility, LogSw

-1.71

Polar Surface Area

113.184

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

S733-1264 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 S733-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S733-1264?
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What is the minimum amount of S733-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S733-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S733-1264
  • 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 S733-1264 available by request