C791-0286 Screening compound: 1-(4-bromo-3-methylphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea

C791-0286 Screening compound: 1-(4-bromo-3-methylphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea
C791-0286 Screening compound: 1-(4-bromo-3-methylphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0286
1-(4-bromo-3-methylphenyl)-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

C791-0286

Molecular Formula

C17H16BrN3O2S (C17 H16 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)NC(Nc(cc2)cc(N3C)c2SCC3=O)=O)c1Br

InChI

InChI=1S/C17H16BrN3O2S/c1-10-7-11(3-5-13(10)18)19-17(23)20-12-4-6-15-14(8-12)21(2)16(22)9-24-15/h3-8H,9H2,1-2H3,(H2,19,20,23)

InChI Key

RVAFVWYMKXEPAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.3

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

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.27

Polar Surface Area

47.959

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C791-0286 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 C791-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0286?
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What is the minimum amount of C791-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0286
  • 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 C791-0286 available by request