S988-1257 Screening compound: [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2-methyl-3-furyl)methanone

S988-1257 Screening compound: [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2-methyl-3-furyl)methanone
S988-1257 Screening compound: [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2-methyl-3-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S988-1257
[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2-methyl-3-furyl)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

S988-1257

Molecular Formula

C20H26N4O4 (C20 H26 N4 O4)

Compound Name

[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2-methyl-3-furyl)methanone

IUPAC name

5-[(3aR6aR)-2-(2-methylfuran-3-carbonyl)-5-(oxan-4-yl)-octahydropyrrolo[34-c]pyrrol-3a-yl]-3-methyl-124-oxadiazole

SMILES

Cc(occ1)c1C(N(C[C@@H]1CN(C2)C3CCOCC3)C[C@@]12c1nc(C)no1)=O

InChI

InChI=1S/C20H26N4O4/c1-13-17(5-8-27-13)18(25)24-10-15-9-23(16-3-6-26-7-4-16)11-20(15,12-24)19-21-14(2)22-28-19/h5,8,15-16H,3-4,6-7,9-12H2,1-2H3/t15-,20+/m1/s1

InChI Key

SPAZXJZCGZVENS-QRWLVFNGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.039

Distribution Coefficient, logD

-4.658

Water Solubility, LogSw

-2.16

Polar Surface Area

67.798

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

13.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

S988-1257 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 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
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S988-1257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S988-1257?
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What is the minimum amount of S988-1257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S988-1257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S988-1257
  • 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 S988-1257 available by request