S763-0525 Screening compound: methyl 2-({9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carbonyl}amino)acetate

S763-0525 Screening compound: methyl 2-({9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carbonyl}amino)acetate
S763-0525 Screening compound: methyl 2-({9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carbonyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound S763-0525
methyl 2-({9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carbonyl}amino)acetate

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

S763-0525

Molecular Formula

C23H30N6O5 (C23 H30 N6 O5)

Compound Name

methyl 2-({9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carbonyl}amino)acetate

IUPAC name

methyl 2-{[(9aR11R12aS)-9-oxo-11-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]15-diazacycloundecane-1-carbonyl]amino}acetate

SMILES

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

InChI

InChI=1S/C23H30N6O5/c1-33-19(30)14-26-23(32)29-10-5-3-2-4-9-25-21(31)17-11-16(12-18(17)29)22-27-20(28-34-22)15-7-6-8-24-13-15/h6-8,13,16-18H,2-5,9-12,14H2,1H3,(H,25,31)(H,26,32)/t16-,17+,18-/m0/s1

InChI Key

ASENZTXCTFSHRY-KSZLIROESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.589

Distribution Coefficient, logD

0.950

Water Solubility, LogSw

-1.68

Polar Surface Area

113.791

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

56.52

S763-0525 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 S763-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S763-0525?
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What is the minimum amount of S763-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S763-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S763-0525
  • 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 S763-0525 available by request