S984-0509 Screening compound: 2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

S984-0509 Screening compound: 2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
S984-0509 Screening compound: 2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-0509
2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

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

S984-0509

Molecular Formula

C22H27N5O5 (C22 H27 N5 O5)

Compound Name

2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

IUPAC name

(3aS6aS)-2-[4-(methoxymethyl)-5-methyl-12-oxazole-3-carbonyl]-NN-dimethyl-5-(pyridine-4-carbonyl)-octahydropyrrolo[34-c]pyrrole-3a-carboxamide

SMILES

Cc1c(COC)c(C(N(C[C@H]2CN(C3)C(c4ccncc4)=O)C[C@]23C(N(C)C)=O)=O)no1

InChI

InChI=1S/C22H27N5O5/c1-14-17(11-31-4)18(24-32-14)20(29)27-10-16-9-26(19(28)15-5-7-23-8-6-15)12-22(16,13-27)21(30)25(2)3/h5-8,16H,9-13H2,1-4H3/t16-,22+/m0/s1

InChI Key

UBVLAZKDEXREDB-KSFYIVLOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.036

Distribution Coefficient, logD

-1.038

Water Solubility, LogSw

-0.67

Polar Surface Area

89.814

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S984-0509 in Drug Discovery

Included in Screening Libraries

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)

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 S984-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-0509?
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What is the minimum amount of S984-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-0509
  • 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 S984-0509 available by request