S988-1247 Screening compound: 1-[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-4-methyl-1-pentanone

S988-1247 Screening compound: 1-[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-4-methyl-1-pentanone
S988-1247 Screening compound: 1-[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-4-methyl-1-pentanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S988-1247
1-[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-4-methyl-1-pentanone

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

S988-1247

Molecular Formula

C20H32N4O3 (C20 H32 N4 O3)

Compound Name

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

IUPAC name

1-[(3aR6aR)-3a-(3-methyl-124-oxadiazol-5-yl)-5-(oxan-4-yl)-octahydropyrrolo[34-c]pyrrol-2-yl]-4-methylpentan-1-one

SMILES

CC(C)CCC(N(C[C@@H]1CN(C2)C3CCOCC3)C[C@@]12c1nc(C)no1)=O

InChI

InChI=1S/C20H32N4O3/c1-14(2)4-5-18(25)24-11-16-10-23(17-6-8-26-9-7-17)12-20(16,13-24)19-21-15(3)22-27-19/h14,16-17H,4-13H2,1-3H3/t16-,20+/m1/s1

InChI Key

TUSKBVRTDOHNIZ-UZLBHIALSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.872

Distribution Coefficient, logD

-3.942

Water Solubility, LogSw

-1.84

Polar Surface Area

59.309

Acid Dissociation Constant (pKa)

23.61

Base Dissociation Constant (pKb)

13.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

85.00

S988-1247 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S988-1247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S988-1247?
Check Price and Availability of S988-1247, 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 S988-1247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S988-1247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S988-1247
  • 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 S988-1247 available by request