C614-5844 Screening compound: 1-(4-bromobenzenesulfonyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine

C614-5844 Screening compound: 1-(4-bromobenzenesulfonyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine
C614-5844 Screening compound: 1-(4-bromobenzenesulfonyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5844
1-(4-bromobenzenesulfonyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine

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

C614-5844

Molecular Formula

C20H20BrN3O3S (C20 H20 BrN3 O3 S)

Compound Name

1-(4-bromobenzenesulfonyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine

IUPAC name

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

SMILES

Cc(cccc1)c1-c1nnc(C(CC2)CCN2S(c(cc2)ccc2Br)(=O)=O)o1

InChI

InChI=1S/C20H20BrN3O3S/c1-14-4-2-3-5-18(14)20-23-22-19(27-20)15-10-12-24(13-11-15)28(25,26)17-8-6-16(21)7-9-17/h2-9,15H,10-13H2,1H3

InChI Key

DZUNFFUSRLUOAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.37

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

4.528

Distribution Coefficient, logD

4.528

Water Solubility, LogSw

-4.31

Polar Surface Area

62.193

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with C614-5844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5844?
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What is the minimum amount of C614-5844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5844
  • 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 C614-5844 available by request