S827-0144 Screening compound: 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-5-fluoropyridine

S827-0144 Screening compound: 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-5-fluoropyridine
S827-0144 Screening compound: 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-5-fluoropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-0144
2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-5-fluoropyridine

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

S827-0144

Molecular Formula

C14H13F3N4O2 (C14 H13 F3 N4 O2)

Compound Name

2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-5-fluoropyridine

IUPAC name

2-[(2S)-2-(3-ethyl-124-oxadiazol-5-yl)-44-difluoropyrrolidine-1-carbonyl]-5-fluoropyridine

SMILES

CCc1noc([C@H](CC(C2)(F)F)N2C(c(cc2)ncc2F)=O)n1

InChI

InChI=1S/C14H13F3N4O2/c1-2-11-19-12(23-20-11)10-5-14(16,17)7-21(10)13(22)9-4-3-8(15)6-18-9/h3-4,6,10H,2,5,7H2,1H3/t10-/m0/s1

InChI Key

MVLNCHXPGFXECX-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.462

Distribution Coefficient, logD

2.462

Water Solubility, LogSw

-2.47

Polar Surface Area

58.685

Acid Dissociation Constant (pKa)

26.09

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S827-0144 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S827-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-0144?
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What is the minimum amount of S827-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-0144
  • 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 S827-0144 available by request