S398-2284 Screening compound: 1-methyl-5-[1-methyl-3-(pyrrolidine-1-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carbonyl]-1H-imidazole

S398-2284 Screening compound: 1-methyl-5-[1-methyl-3-(pyrrolidine-1-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carbonyl]-1H-imidazole
S398-2284 Screening compound: 1-methyl-5-[1-methyl-3-(pyrrolidine-1-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carbonyl]-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-2284
1-methyl-5-[1-methyl-3-(pyrrolidine-1-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carbonyl]-1H-imidazole

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

S398-2284

Molecular Formula

C16H20N6O2 (C16 H20 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(C(N(C2)Cc3c2c(C(N2CCCC2)=O)nn3C)=O)cnc1

InChI

InChI=1S/C16H20N6O2/c1-19-10-17-7-12(19)15(23)22-8-11-13(9-22)20(2)18-14(11)16(24)21-5-3-4-6-21/h7,10H,3-6,8-9H2,1-2H3

InChI Key

XFRQLHLFBDJMPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31953247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.571

Distribution Coefficient, logD

-0.678

Water Solubility, LogSw

0.13

Polar Surface Area

60.126

Acid Dissociation Constant (pKa)

19.77

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S398-2284 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S398-2284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-2284?
Check Price and Availability of S398-2284, 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 S398-2284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-2284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-2284
  • 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 S398-2284 available by request