S826-1129 Screening compound: [1-(2,5-dimethylfuran-3-carbonyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol

S826-1129 Screening compound: [1-(2,5-dimethylfuran-3-carbonyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol
S826-1129 Screening compound: [1-(2,5-dimethylfuran-3-carbonyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-1129
[1-(2,5-dimethylfuran-3-carbonyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol

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

S826-1129

Molecular Formula

C15H19N3O4 (C15 H19 N3 O4)

Compound Name

[1-(2,5-dimethylfuran-3-carbonyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol

IUPAC name

[(3S4S)-1-(25-dimethylfuran-3-carbonyl)-4-(3-methyl-124-oxadiazol-5-yl)pyrrolidin-3-yl]methanol

SMILES

Cc1cc(C(N(C[C@@H]2CO)C[C@@H]2c2nc(C)no2)=O)c(C)o1

InChI

InChI=1S/C15H19N3O4/c1-8-4-12(9(2)21-8)15(20)18-5-11(7-19)13(6-18)14-16-10(3)17-22-14/h4,11,13,19H,5-7H2,1-3H3/t11-,13+/m0/s1

InChI Key

HMLWFGOLOBQLKB-WCQYABFASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.950

Distribution Coefficient, logD

0.950

Water Solubility, LogSw

-2.02

Polar Surface Area

73.272

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.33

S826-1129 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 S826-1129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-1129?
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What is the minimum amount of S826-1129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-1129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-1129
  • 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 S826-1129 available by request