S988-1216 Screening compound: [(3aS,6aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone

S988-1216 Screening compound: [(3aS,6aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
S988-1216 Screening compound: [(3aS,6aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S988-1216
[(3aS,6aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone

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

S988-1216

Molecular Formula

C23H28N6O2 (C23 H28 N6 O2)

Compound Name

[(3aS,6aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone

IUPAC name

5-[(3aS6aS)-2-benzoyl-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-octahydropyrrolo[34-c]pyrrol-3a-yl]-3-methyl-124-oxadiazole

SMILES

CCn1ncc(CN(C[C@H]2CN(C3)C(c4ccccc4)=O)C[C@]23c2nc(C)no2)c1C

InChI

InChI=1S/C23H28N6O2/c1-4-29-16(2)19(10-24-29)11-27-12-20-13-28(21(30)18-8-6-5-7-9-18)15-23(20,14-27)22-25-17(3)26-31-22/h5-10,20H,4,11-15H2,1-3H3/t20-,23+/m1/s1

InChI Key

YYDXTTXCPLKWGR-OFNKIYASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.551

Distribution Coefficient, logD

-7.313

Water Solubility, LogSw

-1.80

Polar Surface Area

66.029

Acid Dissociation Constant (pKa)

25.18

Base Dissociation Constant (pKb)

16.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.83

S988-1216 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 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
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S988-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S988-1216?
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What is the minimum amount of S988-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S988-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S988-1216
  • 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 S988-1216 available by request