SA58-1230 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl}propan-1-one

SA58-1230 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl}propan-1-one
SA58-1230 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-1230
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{2-[2-(5-phenyl-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

SA58-1230

Molecular Formula

C22H27N5O2 (C22 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C)nn1CCC(N1C(CCc2noc(-c3ccccc3)n2)CCC1)=O

InChI

InChI=1S/C22H27N5O2/c1-16-15-17(2)27(24-16)14-12-21(28)26-13-6-9-19(26)10-11-20-23-22(29-25-20)18-7-4-3-5-8-18/h3-5,7-8,15,19H,6,9-14H2,1-2H3/t19-/m1/s1

InChI Key

FZXKPVTUZFBPQJ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32000021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.401

Distribution Coefficient, logD

2.401

Water Solubility, LogSw

-2.57

Polar Surface Area

62.753

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

SA58-1230 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA58-1230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-1230?
Check Price and Availability of SA58-1230, 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 SA58-1230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-1230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-1230
  • 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 SA58-1230 available by request