S747-0778 Screening compound: 5-[(3-fluoro-2-hydroxyphenyl)methyl]-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one

S747-0778 Screening compound: 5-[(3-fluoro-2-hydroxyphenyl)methyl]-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
S747-0778 Screening compound: 5-[(3-fluoro-2-hydroxyphenyl)methyl]-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S747-0778
5-[(3-fluoro-2-hydroxyphenyl)methyl]-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-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

S747-0778

Molecular Formula

C23H26FN5O3 (C23 H26 FN5 O3)

Compound Name

5-[(3-fluoro-2-hydroxyphenyl)methyl]-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one

IUPAC name

5-[(3-fluoro-2-hydroxyphenyl)methyl]-9-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]-15-diazacycloundecan-2-one

SMILES

Oc(c(CN(CCCC(CCN1)c2nc(-c3cnccc3)no2)CCC1=O)ccc1)c1F

InChI

InChI=1S/C23H26FN5O3/c24-19-7-1-4-18(21(19)31)15-29-12-3-6-16(8-11-26-20(30)9-13-29)23-27-22(28-32-23)17-5-2-10-25-14-17/h1-2,4-5,7,10,14,16,31H,3,6,8-9,11-13,15H2,(H,26,30)/t16-/m0/s1

InChI Key

TXKXIXYCEHPWNL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30464298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.283

Distribution Coefficient, logD

1.645

Water Solubility, LogSw

-2.25

Polar Surface Area

85.728

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

S747-0778 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 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
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S747-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S747-0778?
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What is the minimum amount of S747-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S747-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S747-0778
  • 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 S747-0778 available by request