S984-0359 Screening compound: (6aS)-N~3a~,N~3a~-dimethyl-2-(2-phenoxyacetyl)-5-(3-pyridylmethyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide

S984-0359 Screening compound: (6aS)-N~3a~,N~3a~-dimethyl-2-(2-phenoxyacetyl)-5-(3-pyridylmethyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
S984-0359 Screening compound: (6aS)-N~3a~,N~3a~-dimethyl-2-(2-phenoxyacetyl)-5-(3-pyridylmethyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-0359
(6aS)-N~3a~,N~3a~-dimethyl-2-(2-phenoxyacetyl)-5-(3-pyridylmethyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-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

S984-0359

Molecular Formula

C23H28N4O3 (C23 H28 N4 O3)

Compound Name

(6aS)-N~3a~,N~3a~-dimethyl-2-(2-phenoxyacetyl)-5-(3-pyridylmethyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide

IUPAC name

(3aS6aS)-NN-dimethyl-2-(2-phenoxyacetyl)-5-[(pyridin-3-yl)methyl]-octahydropyrrolo[34-c]pyrrole-3a-carboxamide

SMILES

CN(C)C([C@@](CN(Cc1cnccc1)C1)(C2)[C@@H]1CN2C(COc1ccccc1)=O)=O

InChI

InChI=1S/C23H28N4O3/c1-25(2)22(29)23-16-26(12-18-7-6-10-24-11-18)13-19(23)14-27(17-23)21(28)15-30-20-8-4-3-5-9-20/h3-11,19H,12-17H2,1-2H3/t19-,23-/m0/s1

InChI Key

UUWSDAKLYVXZJS-CVDCTZTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.169

Distribution Coefficient, logD

-3.704

Water Solubility, LogSw

-0.44

Polar Surface Area

53.304

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

11.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.48

S984-0359 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S984-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-0359?
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What is the minimum amount of S984-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-0359
  • 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 S984-0359 available by request