C614-5534 Screening compound: 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2,4,6-trimethylbenzenesulfonyl)piperidine

C614-5534 Screening compound: 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2,4,6-trimethylbenzenesulfonyl)piperidine
C614-5534 Screening compound: 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2,4,6-trimethylbenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5534
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2,4,6-trimethylbenzenesulfonyl)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

C614-5534

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2,4,6-trimethylbenzenesulfonyl)piperidine

IUPAC name

4-[5-(2-methoxyphenyl)-134-oxadiazol-2-yl]-1-(246-trimethylbenzenesulfonyl)piperidine

SMILES

Cc(cc1C)cc(C)c1S(N(CC1)CCC1c1nnc(-c(cccc2)c2OC)o1)(=O)=O

InChI

InChI=1S/C23H27N3O4S/c1-15-13-16(2)21(17(3)14-15)31(27,28)26-11-9-18(10-12-26)22-24-25-23(30-22)19-7-5-6-8-20(19)29-4/h5-8,13-14,18H,9-12H2,1-4H3

InChI Key

BNUOYKFCEJLUKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.467

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-4.32

Polar Surface Area

69.824

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C614-5534 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C614-5534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5534?
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What is the minimum amount of C614-5534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5534
  • 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 C614-5534 available by request