S826-4487 Screening compound: 5-[(3S,4S)-1-(ethylsulfonyl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-3-methyl-1,2,4-oxadiazole

S826-4487 Screening compound: 5-[(3S,4S)-1-(ethylsulfonyl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-3-methyl-1,2,4-oxadiazole
S826-4487 Screening compound: 5-[(3S,4S)-1-(ethylsulfonyl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-3-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-4487
5-[(3S,4S)-1-(ethylsulfonyl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-3-methyl-1,2,4-oxadiazole

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

S826-4487

Molecular Formula

C11H19N3O4S (C11 H19 N3 O4 S)

Compound Name

5-[(3S,4S)-1-(ethylsulfonyl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-3-methyl-1,2,4-oxadiazole

IUPAC name

5-[(3S4S)-1-(ethanesulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-124-oxadiazole

SMILES

CCS(N(C[C@@H]1COC)C[C@@H]1c1nc(C)no1)(=O)=O

InChI

InChI=1S/C11H19N3O4S/c1-4-19(15,16)14-5-9(7-17-3)10(6-14)11-12-8(2)13-18-11/h9-10H,4-7H2,1-3H3/t9-,10+/m0/s1

InChI Key

QGRSGTXREQPBGR-VHSXEESVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.489

Distribution Coefficient, logD

0.489

Water Solubility, LogSw

-1.85

Polar Surface Area

72.062

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

81.82

S826-4487 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S826-4487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-4487?
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What is the minimum amount of S826-4487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-4487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-4487
  • 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 S826-4487 available by request