C259-0436 Screening compound: 4-{[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzoxadiazole

C259-0436 Screening compound: 4-{[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzoxadiazole
C259-0436 Screening compound: 4-{[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-0436
4-{[4-(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

C259-0436

Molecular Formula

C24H28N4O4S (C24 H28 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)N1CCC(Cc2ccccc2)CC1

InChI

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

InChI Key

OJXICDXVRMLLMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737069

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

4.262

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.38

Polar Surface Area

84.416

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C259-0436 in Drug Discovery

Included in Screening Libraries

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 C259-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-0436?
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What is the minimum amount of C259-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-0436
  • 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 C259-0436 available by request