C444-0057 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide

C444-0057 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
C444-0057 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0057
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethylphenyl)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

C444-0057

Molecular Formula

C20H22N4O3S2 (C20 H22 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(C(CCC1)CN1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C20H22N4O3S2/c1-2-14-8-10-16(11-9-14)21-20(25)15-5-4-12-24(13-15)29(26,27)18-7-3-6-17-19(18)23-28-22-17/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,21,25)/t15-/m0/s1

InChI Key

JMKISMJIHPMVLX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14758077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.513

Distribution Coefficient, logD

3.513

Water Solubility, LogSw

-3.62

Polar Surface Area

75.927

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C444-0057 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C444-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0057?
Check Price and Availability of C444-0057, 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 C444-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0057
  • 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 C444-0057 available by request