S827-3302 Screening compound: 5-{4,4-difluoro-1-[(5-methylpyridin-2-yl)methyl]pyrrolidin-2-yl}-N-methyl-1,2,4-oxadiazole-3-carboxamide

S827-3302 Screening compound: 5-{4,4-difluoro-1-[(5-methylpyridin-2-yl)methyl]pyrrolidin-2-yl}-N-methyl-1,2,4-oxadiazole-3-carboxamide
S827-3302 Screening compound: 5-{4,4-difluoro-1-[(5-methylpyridin-2-yl)methyl]pyrrolidin-2-yl}-N-methyl-1,2,4-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-3302
5-{4,4-difluoro-1-[(5-methylpyridin-2-yl)methyl]pyrrolidin-2-yl}-N-methyl-1,2,4-oxadiazole-3-carboxamide

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

S827-3302

Molecular Formula

C15H17F2N5O2 (C15 H17 F2 N5 O2)

Compound Name

5-{4,4-difluoro-1-[(5-methylpyridin-2-yl)methyl]pyrrolidin-2-yl}-N-methyl-1,2,4-oxadiazole-3-carboxamide

IUPAC name

5-[(2S)-44-difluoro-1-[(5-methylpyridin-2-yl)methyl]pyrrolidin-2-yl]-N-methyl-124-oxadiazole-3-carboxamide

SMILES

Cc1cnc(CN(CC(C2)(F)F)[C@@H]2c2nc(C(NC)=O)no2)cc1

InChI

InChI=1S/C15H17F2N5O2/c1-9-3-4-10(19-6-9)7-22-8-15(16,17)5-11(22)14-20-12(21-24-14)13(23)18-2/h3-4,6,11H,5,7-8H2,1-2H3,(H,18,23)/t11-/m1/s1

InChI Key

BBNHOMBPZFZIKZ-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.631

Distribution Coefficient, logD

1.615

Water Solubility, LogSw

-2.05

Polar Surface Area

70.275

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

S827-3302 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S827-3302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-3302?
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What is the minimum amount of S827-3302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-3302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-3302
  • 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 S827-3302 available by request