S984-1342 Screening compound: 2-methyl-1-[5-(5-methylpyrazine-2-carbonyl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-one

S984-1342 Screening compound: 2-methyl-1-[5-(5-methylpyrazine-2-carbonyl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-one
S984-1342 Screening compound: 2-methyl-1-[5-(5-methylpyrazine-2-carbonyl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-1342
2-methyl-1-[5-(5-methylpyrazine-2-carbonyl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-one

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

S984-1342

Molecular Formula

C21H29N5O3 (C21 H29 N5 O3)

Compound Name

2-methyl-1-[5-(5-methylpyrazine-2-carbonyl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-one

IUPAC name

1-[(3aS6aS)-5-(5-methylpyrazine-2-carbonyl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[34-c]pyrrol-2-yl]-2-methylpropan-1-one

SMILES

CC(C)C(N(C[C@H]1CN(C2)C(c3ncc(C)nc3)=O)C[C@]12C(N1CCCC1)=O)=O

InChI

InChI=1S/C21H29N5O3/c1-14(2)18(27)25-10-16-11-26(19(28)17-9-22-15(3)8-23-17)13-21(16,12-25)20(29)24-6-4-5-7-24/h8-9,14,16H,4-7,10-13H2,1-3H3/t16-,21+/m1/s1

InChI Key

LEKSGGJUYDDDNA-IERDGZPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.774

Distribution Coefficient, logD

0.774

Water Solubility, LogSw

-0.81

Polar Surface Area

69.096

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

S984-1342 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S984-1342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-1342?
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What is the minimum amount of S984-1342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-1342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-1342
  • 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 S984-1342 available by request