C361-2548 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{3-[benzyl(methyl)amino]propyl}piperidine-4-carboxamide

C361-2548 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{3-[benzyl(methyl)amino]propyl}piperidine-4-carboxamide
C361-2548 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{3-[benzyl(methyl)amino]propyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2548
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{3-[benzyl(methyl)amino]propyl}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

C361-2548

Molecular Formula

C23H29N5O3S2 (C23 H29 N5 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{3-[benzyl(methyl)amino]propyl}piperidine-4-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-{3-[benzyl(methyl)amino]propyl}piperidine-4-carboxamide

SMILES

CN(CCCNC(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)=O)Cc1ccccc1

InChI

InChI=1S/C23H29N5O3S2/c1-27(17-18-7-3-2-4-8-18)14-6-13-24-23(29)19-11-15-28(16-12-19)33(30,31)21-10-5-9-20-22(21)26-32-25-20/h2-5,7-10,19H,6,11-17H2,1H3,(H,24,29)

InChI Key

UCJRINHGUKFHRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.486

Distribution Coefficient, logD

0.988

Water Solubility, LogSw

-2.73

Polar Surface Area

81.251

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C361-2548 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C361-2548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2548?
Check Price and Availability of C361-2548, 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 C361-2548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2548
  • 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 C361-2548 available by request