4965-0100 Screening compound: 3-benzoyl-2-methyl-4-(4-toluidino)-1lambda~6~,2-benzothiazine-1,1(2H)-dione

4965-0100 Screening compound: 3-benzoyl-2-methyl-4-(4-toluidino)-1lambda~6~,2-benzothiazine-1,1(2H)-dione
4965-0100 Screening compound: 3-benzoyl-2-methyl-4-(4-toluidino)-1lambda~6~,2-benzothiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4965-0100
3-benzoyl-2-methyl-4-(4-toluidino)-1lambda~6~,2-benzothiazine-1,1(2H)-dione

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

4965-0100

Molecular Formula

C23H20N2O3S (C23 H20 N2 O3 S)

Compound Name

3-benzoyl-2-methyl-4-(4-toluidino)-1lambda~6~,2-benzothiazine-1,1(2H)-dione

IUPAC name

3-benzoyl-2-methyl-4-[(4-methylphenyl)amino]-2H-1lambda62-benzothiazine-11-dione

SMILES

Cc(cc1)ccc1NC(c1c2cccc1)=C(C(c1ccccc1)=O)N(C)S2(=O)=O

InChI

InChI=1S/C23H20N2O3S/c1-16-12-14-18(15-13-16)24-21-19-10-6-7-11-20(19)29(27,28)25(2)22(21)23(26)17-8-4-3-5-9-17/h3-15,24H,1-2H3

InChI Key

CQPLEKQTVOXTPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03192688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

4.738

Water Solubility, LogSw

-5.27

Polar Surface Area

55.527

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

4965-0100 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS targets activity set (6557 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with 4965-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4965-0100?
Check Price and Availability of 4965-0100, 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 4965-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4965-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4965-0100
  • 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 4965-0100 available by request