S827-4042 Screening compound: 5-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-2-methoxypyridine

S827-4042 Screening compound: 5-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-2-methoxypyridine
S827-4042 Screening compound: 5-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-2-methoxypyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-4042
5-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-2-methoxypyridine

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

S827-4042

Molecular Formula

C15H16F2N4O3 (C15 H16 F2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc1noc([C@H](CC(C2)(F)F)N2C(c(cc2)cnc2OC)=O)n1

InChI

InChI=1S/C15H16F2N4O3/c1-3-11-19-13(24-20-11)10-6-15(16,17)8-21(10)14(22)9-4-5-12(23-2)18-7-9/h4-5,7,10H,3,6,8H2,1-2H3/t10-/m1/s1

InChI Key

CHTBLEUZPOHNCD-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-2.54

Polar Surface Area

66.130

Acid Dissociation Constant (pKa)

25.17

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

References: we are preparing a list of scientific research reports with S827-4042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-4042?
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What is the minimum amount of S827-4042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-4042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-4042
  • 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 S827-4042 available by request