C791-0235 Screening compound: 1-(3,4-dimethoxyphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea

C791-0235 Screening compound: 1-(3,4-dimethoxyphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea
C791-0235 Screening compound: 1-(3,4-dimethoxyphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0235
1-(3,4-dimethoxyphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea

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

C791-0235

Molecular Formula

C18H19N3O4S (C18 H19 N3 O4 S)

Compound Name

1-(3,4-dimethoxyphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea

IUPAC name

1-(34-dimethoxyphenyl)-3-(4-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)urea

SMILES

CN1c(cc(cc2)NC(Nc(cc3)cc(OC)c3OC)=O)c2SCC1=O

InChI

InChI=1S/C18H19N3O4S/c1-21-13-8-11(5-7-16(13)26-10-17(21)22)19-18(23)20-12-4-6-14(24-2)15(9-12)25-3/h4-9H,10H2,1-3H3,(H2,19,20,23)

InChI Key

ZYMYXOGUDVBAPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.701

Distribution Coefficient, logD

2.701

Water Solubility, LogSw

-3.34

Polar Surface Area

63.220

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C791-0235 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Aurora A-B Kinases Targeted Library (9426 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
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C791-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0235?
Check Price and Availability of C791-0235, 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 C791-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0235
  • 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 C791-0235 available by request