SA67-0898 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

SA67-0898 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one
SA67-0898 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-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 SA67-0898
2-(3,5-dimethyl-1H-pyrazol-1-yl)-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

SA67-0898

Molecular Formula

C20H29N5O3 (C20 H29 N5 O3)

Compound Name

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

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[5-(oxan-4-yl)-124-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

SMILES

Cc1cc(C)nn1CC(N1CC(CCc2noc(C3CCOCC3)n2)CC1)=O

InChI

InChI=1S/C20H29N5O3/c1-14-11-15(2)25(22-14)13-19(26)24-8-5-16(12-24)3-4-18-21-20(28-23-18)17-6-9-27-10-7-17/h11,16-17H,3-10,12-13H2,1-2H3/t16-/m1/s1

InChI Key

RKAHQBXJUPSNCZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32001417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.609

Distribution Coefficient, logD

1.609

Water Solubility, LogSw

-1.53

Polar Surface Area

71.163

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

SA67-0898 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SA67-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-0898?
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What is the minimum amount of SA67-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-0898
  • 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 SA67-0898 available by request