SA67-0811 Screening compound: 2-(2-fluorophenyl)-1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

SA67-0811 Screening compound: 2-(2-fluorophenyl)-1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one
SA67-0811 Screening compound: 2-(2-fluorophenyl)-1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-0811
2-(2-fluorophenyl)-1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-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

SA67-0811

Molecular Formula

C21H26FN3O3 (C21 H26 FN3 O3)

Compound Name

2-(2-fluorophenyl)-1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(2-fluorophenyl)-1-(3-{2-[5-(oxan-4-yl)-124-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(Cc(cccc1)c1F)N1CC(CCc2noc(C3CCOCC3)n2)CC1

InChI

InChI=1S/C21H26FN3O3/c22-18-4-2-1-3-17(18)13-20(26)25-10-7-15(14-25)5-6-19-23-21(28-24-19)16-8-11-27-12-9-16/h1-4,15-16H,5-14H2/t15-/m1/s1

InChI Key

RETFXAKNODJEEH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32002742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

3.674

Water Solubility, LogSw

-3.90

Polar Surface Area

57.156

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SA67-0811 in Drug Discovery

Included in Screening Libraries

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 SA67-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-0811?
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What is the minimum amount of SA67-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-0811
  • 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 SA67-0811 available by request