S763-0522 Screening compound: N-(2-methylpropyl)-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxamide

S763-0522 Screening compound: N-(2-methylpropyl)-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxamide
S763-0522 Screening compound: N-(2-methylpropyl)-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S763-0522
N-(2-methylpropyl)-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-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

S763-0522

Molecular Formula

C24H34N6O3 (C24 H34 N6 O3)

Compound Name

N-(2-methylpropyl)-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxamide

IUPAC name

(9aR11R12aS)-N-(2-methylpropyl)-9-oxo-11-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]15-diazacycloundecane-1-carboxamide

SMILES

CC(C)CNC(N(CCCCCCN1)[C@@H](C[C@@H](C2)c3nc(-c4cnccc4)no3)[C@@H]2C1=O)=O

InChI

InChI=1S/C24H34N6O3/c1-16(2)14-27-24(32)30-11-6-4-3-5-10-26-22(31)19-12-18(13-20(19)30)23-28-21(29-33-23)17-8-7-9-25-15-17/h7-9,15-16,18-20H,3-6,10-14H2,1-2H3,(H,26,31)(H,27,32)/t18-,19+,20-/m0/s1

InChI Key

RKCIREORVFAADH-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

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.071

Distribution Coefficient, logD

2.432

Water Solubility, LogSw

-2.99

Polar Surface Area

93.212

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

62.50

S763-0522 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 S763-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S763-0522?
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What is the minimum amount of S763-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S763-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S763-0522
  • 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 S763-0522 available by request