S763-0507 Screening compound: N-(2-fluorophenyl)-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxamide

S763-0507 Screening compound: N-(2-fluorophenyl)-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxamide
S763-0507 Screening compound: N-(2-fluorophenyl)-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 S763-0507
N-(2-fluorophenyl)-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

S763-0507

Molecular Formula

C26H29FN6O3 (C26 H29 FN6 O3)

Compound Name

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

SMILES

O=C(Nc(cccc1)c1F)N(CCCCCCN1)[C@@H](C[C@@H](C2)c3nc(-c4cnccc4)no3)[C@@H]2C1=O

InChI

InChI=1S/C26H29FN6O3/c27-20-9-3-4-10-21(20)30-26(35)33-13-6-2-1-5-12-29-24(34)19-14-18(15-22(19)33)25-31-23(32-36-25)17-8-7-11-28-16-17/h3-4,7-11,16,18-19,22H,1-2,5-6,12-15H2,(H,29,34)(H,30,35)/t18-,19+,22-/m0/s1

InChI Key

SRCOVUCYXVDBMI-JQVVWYNYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.705

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-3.78

Polar Surface Area

90.921

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.31

S763-0507 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 S763-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S763-0507?
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What is the minimum amount of S763-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S763-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S763-0507
  • 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 S763-0507 available by request