C274-8404 Screening compound: 4-({3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

C274-8404 Screening compound: 4-({3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole
C274-8404 Screening compound: 4-({3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-8404
4-({3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

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

C274-8404

Molecular Formula

C22H24ClN5O4S (C22 H24 ClN5 O4 S)

Compound Name

4-({3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

IUPAC name

4-({3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-213-benzoxadiazole

SMILES

O=C(C(CCC1)CN1S(c1cccc2nonc12)(=O)=O)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C22H24ClN5O4S/c23-17-5-1-6-18(14-17)26-10-12-27(13-11-26)22(29)16-4-3-9-28(15-16)33(30,31)20-8-2-7-19-21(20)25-32-24-19/h1-2,5-8,14,16H,3-4,9-13,15H2/t16-/m0/s1

InChI Key

JPAMRJDRKAKLEK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14740510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-3.60

Polar Surface Area

87.881

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C274-8404 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C274-8404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-8404?
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What is the minimum amount of C274-8404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-8404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-8404
  • 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 C274-8404 available by request