S428-0457 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]-1-propanone

S428-0457 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]-1-propanone
S428-0457 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-0457
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]-1-propanone

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

S428-0457

Molecular Formula

C19H27N5O3 (C19 H27 N5 O3)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]-1-propanone

IUPAC name

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

SMILES

Cc1cc(C)nn1CCC(N(CC1)CC1c1nc(C2CCOCC2)no1)=O

InChI

InChI=1S/C19H27N5O3/c1-13-11-14(2)24(21-13)8-4-17(25)23-7-3-16(12-23)19-20-18(22-27-19)15-5-9-26-10-6-15/h11,15-16H,3-10,12H2,1-2H3/t16-/m1/s1

InChI Key

COLZHAYZNLASJP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29006748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.291

Distribution Coefficient, logD

1.291

Water Solubility, LogSw

-1.46

Polar Surface Area

70.151

Acid Dissociation Constant (pKa)

23.21

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

S428-0457 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with S428-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-0457?
Check Price and Availability of S428-0457, 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 S428-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-0457
  • 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 S428-0457 available by request