C361-2499 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-benzyl-N-butylpiperidine-4-carboxamide

C361-2499 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-benzyl-N-butylpiperidine-4-carboxamide
C361-2499 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-benzyl-N-butylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2499
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-benzyl-N-butylpiperidine-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

C361-2499

Molecular Formula

C23H28N4O3S2 (C23 H28 N4 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-benzyl-N-butylpiperidine-4-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-benzyl-N-butylpiperidine-4-carboxamide

SMILES

CCCCN(Cc1ccccc1)C(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C23H28N4O3S2/c1-2-3-14-26(17-18-8-5-4-6-9-18)23(28)19-12-15-27(16-13-19)32(29,30)21-11-7-10-20-22(21)25-31-24-20/h4-11,19H,2-3,12-17H2,1H3

InChI Key

MYEXGFDJGMIQNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.204

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-3.94

Polar Surface Area

69.091

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C361-2499 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C361-2499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2499?
Check Price and Availability of C361-2499, 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 C361-2499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2499
  • 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 C361-2499 available by request