C361-2456 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carboxamide

C361-2456 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carboxamide
C361-2456 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2456
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3,5-bis(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

C361-2456

Molecular Formula

C20H16F6N4O3S2 (C20 H16 F6 N4 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-[35-bis(trifluoromethyl)phenyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChI

InChI=1S/C20H16F6N4O3S2/c21-19(22,23)12-8-13(20(24,25)26)10-14(9-12)27-18(31)11-4-6-30(7-5-11)35(32,33)16-3-1-2-15-17(16)29-34-28-15/h1-3,8-11H,4-7H2,(H,27,31)

InChI Key

PJIZWJYCQWHKJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.784

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.82

Polar Surface Area

75.993

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C361-2456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2456?
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What is the minimum amount of C361-2456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2456
  • 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 C361-2456 available by request