C791-0208 Screening compound: 1-(2,5-dimethylphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea

C791-0208 Screening compound: 1-(2,5-dimethylphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea
C791-0208 Screening compound: 1-(2,5-dimethylphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0208
1-(2,5-dimethylphenyl)-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

C791-0208

Molecular Formula

C18H19N3O2S (C18 H19 N3 O2 S)

Compound Name

1-(2,5-dimethylphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea

IUPAC name

1-(25-dimethylphenyl)-3-(4-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)urea

SMILES

Cc1cc(NC(Nc(cc2)cc(N3C)c2SCC3=O)=O)c(C)cc1

InChI

InChI=1S/C18H19N3O2S/c1-11-4-5-12(2)14(8-11)20-18(23)19-13-6-7-16-15(9-13)21(3)17(22)10-24-16/h4-9H,10H2,1-3H3,(H2,19,20,23)

InChI Key

ZAIZHMMBSNUDII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.36

Polar Surface Area

47.261

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C791-0208 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C791-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0208?
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What is the minimum amount of C791-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0208
  • 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 C791-0208 available by request