S827-3891 Screening compound: 4-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]benzonitrile

S827-3891 Screening compound: 4-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]benzonitrile
S827-3891 Screening compound: 4-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-3891
4-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]benzonitrile

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

S827-3891

Molecular Formula

C16H14F2N4O2 (C16 H14 F2 N4 O2)

Compound Name

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

IUPAC name

4-[(2S)-2-(3-ethyl-124-oxadiazol-5-yl)-44-difluoropyrrolidine-1-carbonyl]benzonitrile

SMILES

CCc1noc([C@H](CC(C2)(F)F)N2C(c(cc2)ccc2C#N)=O)n1

InChI

InChI=1S/C16H14F2N4O2/c1-2-13-20-14(24-21-13)12-7-16(17,18)9-22(12)15(23)11-5-3-10(8-19)4-6-11/h3-6,12H,2,7,9H2,1H3/t12-/m1/s1

InChI Key

NISXWCVDHQCPQA-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

2.665

Water Solubility, LogSw

-2.73

Polar Surface Area

66.604

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

-5.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with S827-3891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-3891?
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What is the minimum amount of S827-3891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-3891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-3891
  • 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 S827-3891 available by request