S763-0380 Screening compound: 1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

S763-0380 Screening compound: 1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one
S763-0380 Screening compound: 1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S763-0380
1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-11-[3-(pyridin-3-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

S763-0380

Molecular Formula

C30H35N5O4 (C30 H35 N5 O4)

Compound Name

1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

IUPAC name

(9aR11R12aS)-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-11-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]15-diazacycloundecan-9-one

SMILES

COc1ccc(C2(CC2)C(N(CCCCCCN2)[C@@H](C[C@@H](C3)c4nc(-c5cnccc5)no4)[C@@H]3C2=O)=O)cc1

InChI

InChI=1S/C30H35N5O4/c1-38-23-10-8-22(9-11-23)30(12-13-30)29(37)35-16-5-3-2-4-15-32-27(36)24-17-21(18-25(24)35)28-33-26(34-39-28)20-7-6-14-31-19-20/h6-11,14,19,21,24-25H,2-5,12-13,15-18H2,1H3,(H,32,36)/t21-,24+,25-/m0/s1

InChI Key

UDUMSRBUXBZTAX-GPUOULLFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.73

Polar Surface Area

90.593

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

S763-0380 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 S763-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S763-0380?
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What is the minimum amount of S763-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S763-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S763-0380
  • 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 S763-0380 available by request