S398-2287 Screening compound: 3-methyl-5-[1-methyl-3-(pyrrolidine-1-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carbonyl]-1,2-oxazole

S398-2287 Screening compound: 3-methyl-5-[1-methyl-3-(pyrrolidine-1-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carbonyl]-1,2-oxazole
S398-2287 Screening compound: 3-methyl-5-[1-methyl-3-(pyrrolidine-1-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-2287
3-methyl-5-[1-methyl-3-(pyrrolidine-1-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carbonyl]-1,2-oxazole

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

S398-2287

Molecular Formula

C16H19N5O3 (C16 H19 N5 O3)

Compound Name

3-methyl-5-[1-methyl-3-(pyrrolidine-1-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carbonyl]-1,2-oxazole

IUPAC name

3-methyl-5-[1-methyl-3-(pyrrolidine-1-carbonyl)-1H4H5H6H-pyrrolo[34-c]pyrazole-5-carbonyl]-12-oxazole

SMILES

Cc1noc(C(N(C2)Cc3c2c(C(N2CCCC2)=O)nn3C)=O)c1

InChI

InChI=1S/C16H19N5O3/c1-10-7-13(24-18-10)15(22)21-8-11-12(9-21)19(2)17-14(11)16(23)20-5-3-4-6-20/h7H,3-6,8-9H2,1-2H3

InChI Key

ASEDNFIKFUOGOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31953250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.249

Distribution Coefficient, logD

0.249

Water Solubility, LogSw

-0.62

Polar Surface Area

70.493

Acid Dissociation Constant (pKa)

19.77

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S398-2287 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S398-2287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-2287?
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What is the minimum amount of S398-2287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-2287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-2287
  • 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 S398-2287 available by request