C798-1345 Screening compound: 4-(1,2-BENZISOTHIAZOL-3-YLCARBONYL)-N-(3-METHOXYPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE

C798-1345 Screening compound: 4-(1,2-BENZISOTHIAZOL-3-YLCARBONYL)-N-(3-METHOXYPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE
C798-1345 Screening compound: 4-(1,2-BENZISOTHIAZOL-3-YLCARBONYL)-N-(3-METHOXYPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1345
4-(1,2-BENZISOTHIAZOL-3-YLCARBONYL)-N-(3-METHOXYPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE

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

C798-1345

Molecular Formula

C20H20N4O3S (C20 H20 N4 O3 S)

Compound Name

4-(1,2-BENZISOTHIAZOL-3-YLCARBONYL)-N-(3-METHOXYPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE

IUPAC name

n/a

SMILES

COc1cccc(NC(N(CC2)CCN2C(c2nsc3c2cccc3)=O)=O)c1

InChI

InChI=1S/C20H20N4O3S/c1-27-15-6-4-5-14(13-15)21-20(26)24-11-9-23(10-12-24)19(25)18-16-7-2-3-8-17(16)28-22-18/h2-8,13H,9-12H2,1H3,(H,21,26)

InChI Key

MVQFKNFYRHCFLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.49

Polar Surface Area

60.698

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.00

C798-1345 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C798-1345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1345?
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What is the minimum amount of C798-1345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1345
  • 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 C798-1345 available by request