SA50-0040 Screening compound: 3-methyl-5-[1-methyl-5-(propane-2-sulfonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-1,2,4-oxadiazole

SA50-0040 Screening compound: 3-methyl-5-[1-methyl-5-(propane-2-sulfonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-1,2,4-oxadiazole
SA50-0040 Screening compound: 3-methyl-5-[1-methyl-5-(propane-2-sulfonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA50-0040
3-methyl-5-[1-methyl-5-(propane-2-sulfonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-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

SA50-0040

Molecular Formula

C12H17N5O3S (C12 H17 N5 O3 S)

Compound Name

3-methyl-5-[1-methyl-5-(propane-2-sulfonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-1,2,4-oxadiazole

IUPAC name

3-methyl-5-[1-methyl-5-(propane-2-sulfonyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-3-yl]-124-oxadiazole

SMILES

CC(C)S(N(C1)Cc2c1c(-c1nc(C)no1)nn2C)(=O)=O

InChI

InChI=1S/C12H17N5O3S/c1-7(2)21(18,19)17-5-9-10(6-17)16(4)14-11(9)12-13-8(3)15-20-12/h7H,5-6H2,1-4H3

InChI Key

NXUVOLGZUPAVEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32237861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.343

Distribution Coefficient, logD

0.343

Water Solubility, LogSw

-1.31

Polar Surface Area

78.490

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.33

SA50-0040 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with SA50-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA50-0040?
Check Price and Availability of SA50-0040, 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 SA50-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA50-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA50-0040
  • 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 SA50-0040 available by request