SA72-0764 Screening compound: 1-{4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-(2-methoxyethyl)piperidin-1-yl}-2-(1H-imidazol-1-yl)ethan-1-one

SA72-0764 Screening compound: 1-{4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-(2-methoxyethyl)piperidin-1-yl}-2-(1H-imidazol-1-yl)ethan-1-one
SA72-0764 Screening compound: 1-{4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-(2-methoxyethyl)piperidin-1-yl}-2-(1H-imidazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA72-0764
1-{4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-(2-methoxyethyl)piperidin-1-yl}-2-(1H-imidazol-1-yl)ethan-1-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

SA72-0764

Molecular Formula

C21H24FN5O3 (C21 H24 FN5 O3)

Compound Name

1-{4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-(2-methoxyethyl)piperidin-1-yl}-2-(1H-imidazol-1-yl)ethan-1-one

IUPAC name

1-{4-[5-(4-fluorophenyl)-124-oxadiazol-3-yl]-4-(2-methoxyethyl)piperidin-1-yl}-2-(1H-imidazol-1-yl)ethan-1-one

SMILES

COCCC(CC1)(CCN1C(Cn1cncc1)=O)c1noc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C21H24FN5O3/c1-29-13-8-21(20-24-19(30-25-20)16-2-4-17(22)5-3-16)6-10-27(11-7-21)18(28)14-26-12-9-23-15-26/h2-5,9,12,15H,6-8,10-11,13-14H2,1H3

InChI Key

CDXYRPNRHFNNHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32240777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.847

Distribution Coefficient, logD

1.683

Water Solubility, LogSw

-1.92

Polar Surface Area

68.930

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

SA72-0764 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA72-0764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA72-0764?
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What is the minimum amount of SA72-0764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA72-0764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA72-0764
  • 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 SA72-0764 available by request