S984-0101 Screening compound: 2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(propan-2-yl)-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

S984-0101 Screening compound: 2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(propan-2-yl)-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
S984-0101 Screening compound: 2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(propan-2-yl)-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-0101
2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(propan-2-yl)-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

S984-0101

Molecular Formula

C19H30N4O4 (C19 H30 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C[C@H]1CN(C2)C(c3noc(C)c3COC)=O)C[C@]12C(N(C)C)=O

InChI

InChI=1S/C19H30N4O4/c1-12(2)22-7-14-8-23(11-19(14,10-22)18(25)21(4)5)17(24)16-15(9-26-6)13(3)27-20-16/h12,14H,7-11H2,1-6H3/t14-,19+/m1/s1

InChI Key

BBRKIMMDCPVTSM-KUHUBIRLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.017

Distribution Coefficient, logD

-5.886

Water Solubility, LogSw

-0.02

Polar Surface Area

67.793

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

13.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

73.68

S984-0101 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S984-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-0101?
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What is the minimum amount of S984-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-0101
  • 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 S984-0101 available by request