C259-0462 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide

C259-0462 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide
C259-0462 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-0462
1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(5-chloro-2-methoxyphenyl)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

C259-0462

Molecular Formula

C19H19ClN4O5S (C19 H19 ClN4 O5 S)

Compound Name

1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide

IUPAC name

1-(213-benzoxadiazole-4-sulfonyl)-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide

SMILES

COc(ccc(Cl)c1)c1NC(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)=O

InChI

InChI=1S/C19H19ClN4O5S/c1-28-16-6-5-13(20)11-15(16)21-19(25)12-7-9-24(10-8-12)30(26,27)17-4-2-3-14-18(17)23-29-22-14/h2-6,11-12H,7-10H2,1H3,(H,21,25)

InChI Key

QQAVCJJTFBXBDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.9

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.241

Distribution Coefficient, logD

3.222

Water Solubility, LogSw

-3.67

Polar Surface Area

98.063

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with C259-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-0462?
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What is the minimum amount of C259-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-0462
  • 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 C259-0462 available by request