C614-5621 Screening compound: 2-{1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-piperidyl}-5-(4-methylphenyl)-1,3,4-oxadiazole

C614-5621 Screening compound: 2-{1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-piperidyl}-5-(4-methylphenyl)-1,3,4-oxadiazole
C614-5621 Screening compound: 2-{1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-piperidyl}-5-(4-methylphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5621
2-{1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-piperidyl}-5-(4-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

C614-5621

Molecular Formula

C21H22ClN3O4S (C21 H22 ClN3 O4 S)

Compound Name

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

IUPAC name

n/a

SMILES

Cc(cc1)ccc1-c1nnc(C(CC2)CCN2S(c(cc(cc2)Cl)c2OC)(=O)=O)o1

InChI

InChI=1S/C21H22ClN3O4S/c1-14-3-5-15(6-4-14)20-23-24-21(29-20)16-9-11-25(12-10-16)30(26,27)19-13-17(22)7-8-18(19)28-2/h3-8,13,16H,9-12H2,1-2H3

InChI Key

OQKMNVQUXSKOGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.94

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

4.260

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.55

Polar Surface Area

69.824

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C614-5621 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C614-5621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5621?
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What is the minimum amount of C614-5621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5621
  • 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 C614-5621 available by request