S398-0784 Screening compound: 4-[5-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine

S398-0784 Screening compound: 4-[5-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine
S398-0784 Screening compound: 4-[5-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-0784
4-[5-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine

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

S398-0784

Molecular Formula

C19H23N5O5 (C19 H23 N5 O5)

Compound Name

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

IUPAC name

4-[5-(26-dimethoxypyridine-3-carbonyl)-1-methyl-1H4H5H6H-pyrrolo[34-c]pyrazole-3-carbonyl]morpholine

SMILES

Cn1nc(C(N2CCOCC2)=O)c(C2)c1CN2C(c(ccc(OC)n1)c1OC)=O

InChI

InChI=1S/C19H23N5O5/c1-22-14-11-24(18(25)12-4-5-15(27-2)20-17(12)28-3)10-13(14)16(21-22)19(26)23-6-8-29-9-7-23/h4-5H,6-11H2,1-3H3

InChI Key

SYFQMHNWSAYCFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31954260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.421

Distribution Coefficient, logD

0.421

Water Solubility, LogSw

-2.07

Polar Surface Area

80.784

Acid Dissociation Constant (pKa)

19.37

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

S398-0784 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S398-0784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-0784?
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What is the minimum amount of S398-0784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-0784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-0784
  • 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 S398-0784 available by request