C444-0175 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C444-0175 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
C444-0175 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0175
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)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

C444-0175

Molecular Formula

C20H19N5O3S3 (C20 H19 N5 O3 S3)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-(6-methyl-13-benzothiazol-2-yl)piperidine-3-carboxamide

SMILES

Cc(cc1)cc2c1nc(NC(C(CCC1)CN1S(c1cccc3nsnc13)(=O)=O)=O)s2

InChI

InChI=1S/C20H19N5O3S3/c1-12-7-8-14-16(10-12)29-20(21-14)22-19(26)13-4-3-9-25(11-13)31(27,28)17-6-2-5-15-18(17)24-30-23-15/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,21,22,26)/t13-/m0/s1

InChI Key

PWONHYLJDVKAEF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14758132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-3.82

Polar Surface Area

85.688

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C444-0175 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C444-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0175?
Check Price and Availability of C444-0175, 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 C444-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0175
  • 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 C444-0175 available by request