SA24-0106 Screening compound: 1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

SA24-0106 Screening compound: 1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
SA24-0106 Screening compound: 1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA24-0106
1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-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

SA24-0106

Molecular Formula

C19H22F2N4O3 (C19 H22 F2 N4 O3)

Compound Name

1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

IUPAC name

1-{3-[(2S)-44-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-3-(3-phenyl-124-oxadiazol-5-yl)propan-1-one

SMILES

OC[C@H](CC(C1)(F)F)N1C(C1)CN1C(CCc1nc(-c2ccccc2)no1)=O

InChI

InChI=1S/C19H22F2N4O3/c20-19(21)8-14(11-26)25(12-19)15-9-24(10-15)17(27)7-6-16-22-18(23-28-16)13-4-2-1-3-5-13/h1-5,14-15,26H,6-12H2/t14-/m1/s1

InChI Key

HNYBVRSKEPFRJM-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.958

Distribution Coefficient, logD

1.956

Water Solubility, LogSw

-2.18

Polar Surface Area

68.054

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

SA24-0106 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

NOTUM (Wnt signaling) Library (3881 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 SA24-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA24-0106?
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What is the minimum amount of SA24-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA24-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA24-0106
  • 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 SA24-0106 available by request