S763-0028 Screening compound: 1-(3-fluoro-4-methoxybenzoyl)-11-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

S763-0028 Screening compound: 1-(3-fluoro-4-methoxybenzoyl)-11-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one
S763-0028 Screening compound: 1-(3-fluoro-4-methoxybenzoyl)-11-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S763-0028
1-(3-fluoro-4-methoxybenzoyl)-11-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

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

S763-0028

Molecular Formula

C25H33FN4O4 (C25 H33 FN4 O4)

Compound Name

1-(3-fluoro-4-methoxybenzoyl)-11-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

IUPAC name

(9aR11R12aS)-1-(3-fluoro-4-methoxybenzoyl)-11-[3-(propan-2-yl)-124-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]15-diazacycloundecan-9-one

SMILES

CC(C)c1noc([C@H](C[C@H]2C(NCCCCCC3)=O)C[C@@H]2N3C(c(cc2)cc(F)c2OC)=O)n1

InChI

InChI=1S/C25H33FN4O4/c1-15(2)22-28-24(34-29-22)17-12-18-20(14-17)30(11-7-5-4-6-10-27-23(18)31)25(32)16-8-9-21(33-3)19(26)13-16/h8-9,13,15,17-18,20H,4-7,10-12,14H2,1-3H3,(H,27,31)/t17-,18+,20-/m0/s1

InChI Key

QXTVENMHBVKRSL-NSHGMRRFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.56

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

3.859

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-3.85

Polar Surface Area

81.182

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.00

S763-0028 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 S763-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S763-0028?
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What is the minimum amount of S763-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S763-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S763-0028
  • 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 S763-0028 available by request