C274-8450 Screening compound: 4-{[3-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzoxadiazole

C274-8450 Screening compound: 4-{[3-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzoxadiazole
C274-8450 Screening compound: 4-{[3-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-8450
4-{[3-(4-benzylpiperidine-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

C274-8450

Molecular Formula

C24H28N4O4S (C24 H28 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)CN1S(c1cccc2nonc12)(=O)=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C24H28N4O4S/c29-24(27-14-11-19(12-15-27)16-18-6-2-1-3-7-18)20-8-5-13-28(17-20)33(30,31)22-10-4-9-21-23(22)26-32-25-21/h1-4,6-7,9-10,19-20H,5,8,11-17H2/t20-/m0/s1

InChI Key

JUZDGIIHMAYQHD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14740522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.125

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.33

Polar Surface Area

84.349

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

C274-8450 in Drug Discovery

Included in Screening Libraries

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

Human GPCR Annotated Library (5539 compounds)

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 C274-8450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-8450?
Check Price and Availability of C274-8450, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C274-8450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-8450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-8450
  • 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 C274-8450 available by request