SA66-0257 Screening compound: 3-bromo-5-(3-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-1-carbonyl)pyridine

SA66-0257 Screening compound: 3-bromo-5-(3-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-1-carbonyl)pyridine
SA66-0257 Screening compound: 3-bromo-5-(3-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-1-carbonyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA66-0257
3-bromo-5-(3-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-1-carbonyl)pyridine

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

SA66-0257

Molecular Formula

C20H20BrN5O2 (C20 H20 BrN5 O2)

Compound Name

3-bromo-5-(3-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-1-carbonyl)pyridine

IUPAC name

3-bromo-5-(3-{2-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]ethyl}piperidine-1-carbonyl)pyridine

SMILES

O=C(c1cc(Br)cnc1)N1CC(CCc2noc(-c3ccncc3)n2)CCC1

InChI

InChI=1S/C20H20BrN5O2/c21-17-10-16(11-23-12-17)20(27)26-9-1-2-14(13-26)3-4-18-24-19(28-25-18)15-5-7-22-8-6-15/h5-8,10-12,14H,1-4,9,13H2/t14-/m1/s1

InChI Key

OBDZWSIFNSXDKN-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32001986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.875

Distribution Coefficient, logD

2.875

Water Solubility, LogSw

-2.90

Polar Surface Area

68.252

Acid Dissociation Constant (pKa)

25.07

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

SA66-0257 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 SA66-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA66-0257?
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What is the minimum amount of SA66-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA66-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA66-0257
  • 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 SA66-0257 available by request