S828-0144 Screening compound: [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](3-methyl-5-isoxazolyl)methanone

S828-0144 Screening compound: [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](3-methyl-5-isoxazolyl)methanone
S828-0144 Screening compound: [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](3-methyl-5-isoxazolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-0144
[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](3-methyl-5-isoxazolyl)methanone

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

S828-0144

Molecular Formula

C12H12F2N4O3 (C12 H12 F2 N4 O3)

Compound Name

[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](3-methyl-5-isoxazolyl)methanone

IUPAC name

2-[(2S)-44-difluoro-1-(3-methyl-12-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-methyl-134-oxadiazole

SMILES

Cc1noc(C(N(CC(C2)(F)F)[C@@H]2c2nnc(C)o2)=O)c1

InChI

InChI=1S/C12H12F2N4O3/c1-6-3-9(21-17-6)11(19)18-5-12(13,14)4-8(18)10-16-15-7(2)20-10/h3,8H,4-5H2,1-2H3/t8-/m1/s1

InChI Key

GXHMTHUSBKUKSF-MRVPVSSYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.924

Distribution Coefficient, logD

0.924

Water Solubility, LogSw

-1.15

Polar Surface Area

68.237

Acid Dissociation Constant (pKa)

25.57

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S828-0144 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S828-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-0144?
Check Price and Availability of S828-0144, 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 S828-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-0144
  • 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 S828-0144 available by request