C444-0185 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,3-diethoxypropyl)piperidine-3-carboxamide

C444-0185 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,3-diethoxypropyl)piperidine-3-carboxamide
C444-0185 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,3-diethoxypropyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0185
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,3-diethoxypropyl)piperidine-3-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

C444-0185

Molecular Formula

C19H28N4O5S2 (C19 H28 N4 O5 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,3-diethoxypropyl)piperidine-3-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-(33-diethoxypropyl)piperidine-3-carboxamide

SMILES

CCOC(CCNC(C(CCC1)CN1S(c1cccc2nsnc12)(=O)=O)=O)OCC

InChI

InChI=1S/C19H28N4O5S2/c1-3-27-17(28-4-2)10-11-20-19(24)14-7-6-12-23(13-14)30(25,26)16-9-5-8-15-18(16)22-29-21-15/h5,8-9,14,17H,3-4,6-7,10-13H2,1-2H3,(H,20,24)/t14-/m0/s1

InChI Key

KUWMWKOMFVBSEO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14758135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.517

Distribution Coefficient, logD

1.517

Water Solubility, LogSw

-2.33

Polar Surface Area

92.016

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

C444-0185 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 C444-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0185?
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What is the minimum amount of C444-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0185
  • 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 C444-0185 available by request