S746-0023 Screening compound: tert-butyl 9-oxo-11-(3-phenyl-1,2,4-oxadiazol-5-yl)-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxylate

S746-0023 Screening compound: tert-butyl 9-oxo-11-(3-phenyl-1,2,4-oxadiazol-5-yl)-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxylate
S746-0023 Screening compound: tert-butyl 9-oxo-11-(3-phenyl-1,2,4-oxadiazol-5-yl)-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S746-0023
tert-butyl 9-oxo-11-(3-phenyl-1,2,4-oxadiazol-5-yl)-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxylate

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

S746-0023

Molecular Formula

C25H34N4O4 (C25 H34 N4 O4)

Compound Name

tert-butyl 9-oxo-11-(3-phenyl-1,2,4-oxadiazol-5-yl)-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxylate

IUPAC name

tert-butyl (9aR11R12aS)-9-oxo-11-(3-phenyl-124-oxadiazol-5-yl)-tetradecahydrocyclopenta[b]15-diazacycloundecane-1-carboxylate

SMILES

CC(C)(C)OC(N(CCCCCCN1)[C@@H](C[C@@H](C2)c3nc(-c4ccccc4)no3)[C@@H]2C1=O)=O

InChI

InChI=1S/C25H34N4O4/c1-25(2,3)32-24(31)29-14-10-5-4-9-13-26-22(30)19-15-18(16-20(19)29)23-27-21(28-33-23)17-11-7-6-8-12-17/h6-8,11-12,18-20H,4-5,9-10,13-16H2,1-3H3,(H,26,30)/t18-,19+,20-/m0/s1

InChI Key

HHZWLCDJRYXFNO-ZCNNSNEGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.112

Distribution Coefficient, logD

5.112

Water Solubility, LogSw

-4.81

Polar Surface Area

78.713

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.00

S746-0023 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 S746-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S746-0023?
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What is the minimum amount of S746-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S746-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S746-0023
  • 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 S746-0023 available by request