C259-0409 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-4-carboxamide

C259-0409 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-4-carboxamide
C259-0409 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-0409
1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-bromo-2-fluorophenyl)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

C259-0409

Molecular Formula

C18H16BrFN4O4S (C18 H16 BrFN4 O4 S)

Compound Name

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

IUPAC name

1-(213-benzoxadiazole-4-sulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C18H16BrFN4O4S/c19-12-4-5-14(13(20)10-12)21-18(25)11-6-8-24(9-7-11)29(26,27)16-3-1-2-15-17(16)23-28-22-15/h1-5,10-11H,6-9H2,(H,21,25)

InChI Key

SZFDLIGOGGHITI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.32

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

3.669

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-3.98

Polar Surface Area

90.433

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C259-0409 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C259-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-0409?
Check Price and Availability of C259-0409, 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 C259-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-0409
  • 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 C259-0409 available by request