C614-5795 Screening compound: 2-{1-[(4-fluorophenyl)sulfonyl]-4-piperidyl}-5-(3-methylphenyl)-1,3,4-oxadiazole

C614-5795 Screening compound: 2-{1-[(4-fluorophenyl)sulfonyl]-4-piperidyl}-5-(3-methylphenyl)-1,3,4-oxadiazole
C614-5795 Screening compound: 2-{1-[(4-fluorophenyl)sulfonyl]-4-piperidyl}-5-(3-methylphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5795
2-{1-[(4-fluorophenyl)sulfonyl]-4-piperidyl}-5-(3-methylphenyl)-1,3,4-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

C614-5795

Molecular Formula

C20H20FN3O3S (C20 H20 FN3 O3 S)

Compound Name

2-{1-[(4-fluorophenyl)sulfonyl]-4-piperidyl}-5-(3-methylphenyl)-1,3,4-oxadiazole

IUPAC name

1-(4-fluorobenzenesulfonyl)-4-[5-(3-methylphenyl)-134-oxadiazol-2-yl]piperidine

SMILES

Cc1cccc(-c2nnc(C(CC3)CCN3S(c(cc3)ccc3F)(=O)=O)o2)c1

InChI

InChI=1S/C20H20FN3O3S/c1-14-3-2-4-16(13-14)20-23-22-19(27-20)15-9-11-24(12-10-15)28(25,26)18-7-5-17(21)6-8-18/h2-8,13,15H,9-12H2,1H3

InChI Key

ZGIFCZFXIOROJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.877

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-3.85

Polar Surface Area

62.193

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with C614-5795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5795?
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What is the minimum amount of C614-5795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5795
  • 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 C614-5795 available by request