C444-0130 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide

C444-0130 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide
C444-0130 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0130
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]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

C444-0130

Molecular Formula

C19H20N4O3S3 (C19 H20 N4 O3 S3)

Compound Name

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

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide

SMILES

CSc1cccc(NC(C(CCC2)CN2S(c2cccc3nsnc23)(=O)=O)=O)c1

InChI

InChI=1S/C19H20N4O3S3/c1-27-15-7-2-6-14(11-15)20-19(24)13-5-4-10-23(12-13)29(25,26)17-9-3-8-16-18(17)22-28-21-16/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,20,24)/t13-/m0/s1

InChI Key

AKHOKGWEXDSZKM-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14758108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

3.043

Water Solubility, LogSw

-3.44

Polar Surface Area

75.927

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

C444-0130 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Protein Arginine Methyltransferases Library (27925 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 C444-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0130?
Check Price and Availability of C444-0130, 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 C444-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0130
  • 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 C444-0130 available by request