S988-0634 Screening compound: 2-[5-cyclopropanecarbonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-octahydropyrrolo[3,4-c]pyrrole-2-carbonyl]-5-methylpyrazine

S988-0634 Screening compound: 2-[5-cyclopropanecarbonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-octahydropyrrolo[3,4-c]pyrrole-2-carbonyl]-5-methylpyrazine
S988-0634 Screening compound: 2-[5-cyclopropanecarbonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-octahydropyrrolo[3,4-c]pyrrole-2-carbonyl]-5-methylpyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S988-0634
2-[5-cyclopropanecarbonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-octahydropyrrolo[3,4-c]pyrrole-2-carbonyl]-5-methylpyrazine

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

S988-0634

Molecular Formula

C19H22N6O3 (C19 H22 N6 O3)

Compound Name

2-[5-cyclopropanecarbonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-octahydropyrrolo[3,4-c]pyrrole-2-carbonyl]-5-methylpyrazine

IUPAC name

2-[(3aR6aR)-5-cyclopropanecarbonyl-3a-(3-methyl-124-oxadiazol-5-yl)-octahydropyrrolo[34-c]pyrrole-2-carbonyl]-5-methylpyrazine

SMILES

Cc1noc([C@@](CN(C2)C(C3CC3)=O)(C3)[C@@H]2CN3C(c2ncc(C)nc2)=O)n1

InChI

InChI=1S/C19H22N6O3/c1-11-5-21-15(6-20-11)17(27)25-8-14-7-24(16(26)13-3-4-13)9-19(14,10-25)18-22-12(2)23-28-18/h5-6,13-14H,3-4,7-10H2,1-2H3/t14-,19+/m1/s1

InChI Key

HBPGJDJJSJUBRR-KUHUBIRLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.465

Distribution Coefficient, logD

0.465

Water Solubility, LogSw

-0.93

Polar Surface Area

83.624

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

S988-0634 in Drug Discovery

Included in Screening Libraries

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 S988-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S988-0634?
Check Price and Availability of S988-0634, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S988-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S988-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S988-0634
  • 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 S988-0634 available by request