C614-5533 Screening compound: N-[4-({4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}sulfonyl)phenyl]acetamide

C614-5533 Screening compound: N-[4-({4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}sulfonyl)phenyl]acetamide
C614-5533 Screening compound: N-[4-({4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5533
N-[4-({4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}sulfonyl)phenyl]acetamide

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

C614-5533

Molecular Formula

C22H24N4O5S (C22 H24 N4 O5 S)

Compound Name

N-[4-({4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}sulfonyl)phenyl]acetamide

IUPAC name

N-[4-({4-[5-(2-methoxyphenyl)-134-oxadiazol-2-yl]piperidin-1-yl}sulfonyl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1S(N(CC1)CCC1c1nnc(-c(cccc2)c2OC)o1)(=O)=O)=O

InChI

InChI=1S/C22H24N4O5S/c1-15(27)23-17-7-9-18(10-8-17)32(28,29)26-13-11-16(12-14-26)21-24-25-22(31-21)19-5-3-4-6-20(19)30-2/h3-10,16H,11-14H2,1-2H3,(H,23,27)

InChI Key

VFWRXZPNCKVUBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

2.394

Water Solubility, LogSw

-2.99

Polar Surface Area

93.086

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C614-5533 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C614-5533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5533?
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What is the minimum amount of C614-5533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5533
  • 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 C614-5533 available by request