S827-2759 Screening compound: 5-[4,4-difluoro-1-(1-methyl-1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole

S827-2759 Screening compound: 5-[4,4-difluoro-1-(1-methyl-1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
S827-2759 Screening compound: 5-[4,4-difluoro-1-(1-methyl-1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-2759
5-[4,4-difluoro-1-(1-methyl-1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(methoxymethyl)-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

S827-2759

Molecular Formula

C13H15F2N5O3 (C13 H15 F2 N5 O3)

Compound Name

5-[4,4-difluoro-1-(1-methyl-1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole

IUPAC name

5-[(2S)-44-difluoro-1-(1-methyl-1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(methoxymethyl)-124-oxadiazole

SMILES

Cn1c(C(N(CC(C2)(F)F)[C@@H]2c2nc(COC)no2)=O)cnc1

InChI

InChI=1S/C13H15F2N5O3/c1-19-7-16-4-9(19)12(21)20-6-13(14,15)3-8(20)11-17-10(5-22-2)18-23-11/h4,7-8H,3,5-6H2,1-2H3/t8-/m1/s1

InChI Key

RVBDHZDGDOJXAU-MRVPVSSYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.405

Distribution Coefficient, logD

0.374

Water Solubility, LogSw

-0.59

Polar Surface Area

69.218

Acid Dissociation Constant (pKa)

25.57

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

S827-2759 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 S827-2759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-2759?
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What is the minimum amount of S827-2759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-2759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-2759
  • 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 S827-2759 available by request