C259-0450 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide

C259-0450 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
C259-0450 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-0450
1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide

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

C259-0450

Molecular Formula

C19H26N4O4S (C19 H26 N4 O4 S)

Compound Name

1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide

IUPAC name

1-(213-benzoxadiazole-4-sulfonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide

SMILES

CC(CC1)CCC1NC(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)=O

InChI

InChI=1S/C19H26N4O4S/c1-13-5-7-15(8-6-13)20-19(24)14-9-11-23(12-10-14)28(25,26)17-4-2-3-16-18(17)22-27-21-16/h2-4,13-15H,5-12H2,1H3,(H,20,24)

InChI Key

CMLKYHAYEMQTON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-3.66

Polar Surface Area

92.178

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

C259-0450 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C259-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-0450?
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What is the minimum amount of C259-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-0450
  • 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 C259-0450 available by request