C259-0493 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C259-0493 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
C259-0493 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-0493
1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(trifluoromethyl)phenyl]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

C259-0493

Molecular Formula

C19H17F3N4O4S (C19 H17 F3 N4 O4 S)

Compound Name

1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

IUPAC name

1-(213-benzoxadiazole-4-sulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C19H17F3N4O4S/c20-19(21,22)13-4-1-2-5-14(13)23-18(27)12-8-10-26(11-9-12)31(28,29)16-7-3-6-15-17(16)25-30-24-15/h1-7,12H,8-11H2,(H,23,27)

InChI Key

LGSRWQBHETUGCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.504

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.73

Polar Surface Area

90.433

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with C259-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-0493?
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What is the minimum amount of C259-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-0493
  • 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 C259-0493 available by request