SA67-1052 Screening compound: 3-(4-methoxyphenyl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)propan-1-one

SA67-1052 Screening compound: 3-(4-methoxyphenyl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)propan-1-one
SA67-1052 Screening compound: 3-(4-methoxyphenyl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-1052
3-(4-methoxyphenyl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-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

SA67-1052

Molecular Formula

C23H26N4O3 (C23 H26 N4 O3)

Compound Name

3-(4-methoxyphenyl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)propan-1-one

IUPAC name

3-(4-methoxyphenyl)-1-(3-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)propan-1-one

SMILES

COc1ccc(CCC(N2CC(CCc3noc(-c4cnccc4)n3)CC2)=O)cc1

InChI

InChI=1S/C23H26N4O3/c1-29-20-8-4-17(5-9-20)7-11-22(28)27-14-12-18(16-27)6-10-21-25-23(30-26-21)19-3-2-13-24-15-19/h2-5,8-9,13,15,18H,6-7,10-12,14,16H2,1H3/t18-/m1/s1

InChI Key

MUHSNQMBTKFYQM-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32002391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.143

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-2.86

Polar Surface Area

66.117

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SA67-1052 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 SA67-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-1052?
Check Price and Availability of SA67-1052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA67-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-1052
  • 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 SA67-1052 available by request