SA58-1204 Screening compound: 3-{2-[1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]ethyl}-5-phenyl-1,2,4-oxadiazole

SA58-1204 Screening compound: 3-{2-[1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]ethyl}-5-phenyl-1,2,4-oxadiazole
SA58-1204 Screening compound: 3-{2-[1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]ethyl}-5-phenyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-1204
3-{2-[1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]ethyl}-5-phenyl-1,2,4-oxadiazole

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

SA58-1204

Molecular Formula

C20H23N5O2 (C20 H23 N5 O2)

Compound Name

3-{2-[1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]ethyl}-5-phenyl-1,2,4-oxadiazole

IUPAC name

3-{2-[1-(13-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]ethyl}-5-phenyl-124-oxadiazole

SMILES

Cc1nn(C)cc1C(N1C(CCc2noc(-c3ccccc3)n2)CCC1)=O

InChI

InChI=1S/C20H23N5O2/c1-14-17(13-24(2)22-14)20(26)25-12-6-9-16(25)10-11-18-21-19(27-23-18)15-7-4-3-5-8-15/h3-5,7-8,13,16H,6,9-12H2,1-2H3/t16-/m1/s1

InChI Key

YOCGDJHQCLMNEG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32010866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.326

Distribution Coefficient, logD

2.326

Water Solubility, LogSw

-2.66

Polar Surface Area

64.457

Acid Dissociation Constant (pKa)

23.86

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

SA58-1204 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 SA58-1204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-1204?
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What is the minimum amount of SA58-1204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-1204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-1204
  • 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 SA58-1204 available by request