S984-0893 Screening compound: (6aS)-N~3a~,N~3a~-dimethyl-N-phenethyl-5-(2-pyrazinylcarbonyl)tetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide

S984-0893 Screening compound: (6aS)-N~3a~,N~3a~-dimethyl-N-phenethyl-5-(2-pyrazinylcarbonyl)tetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
S984-0893 Screening compound: (6aS)-N~3a~,N~3a~-dimethyl-N-phenethyl-5-(2-pyrazinylcarbonyl)tetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-0893
(6aS)-N~3a~,N~3a~-dimethyl-N-phenethyl-5-(2-pyrazinylcarbonyl)tetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide

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

S984-0893

Molecular Formula

C23H28N6O3 (C23 H28 N6 O3)

Compound Name

(6aS)-N~3a~,N~3a~-dimethyl-N-phenethyl-5-(2-pyrazinylcarbonyl)tetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide

IUPAC name

(3aS6aS)-N3aN3a-dimethyl-N2-(2-phenylethyl)-5-(pyrazine-2-carbonyl)-octahydropyrrolo[34-c]pyrrole-23a-dicarboxamide

SMILES

CN(C)C([C@@](CN(C1)C(c2nccnc2)=O)(C2)[C@@H]1CN2C(NCCc1ccccc1)=O)=O

InChI

InChI=1S/C23H28N6O3/c1-27(2)21(31)23-15-28(20(30)19-12-24-10-11-25-19)13-18(23)14-29(16-23)22(32)26-9-8-17-6-4-3-5-7-17/h3-7,10-12,18H,8-9,13-16H2,1-2H3,(H,26,32)/t18-,23+/m1/s1

InChI Key

PXQIGZBLBKVQJR-JPYJTQIMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.028

Distribution Coefficient, logD

0.028

Water Solubility, LogSw

-1.36

Polar Surface Area

78.280

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.48

S984-0893 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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 S984-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-0893?
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What is the minimum amount of S984-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-0893
  • 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 S984-0893 available by request