C791-0718 Screening compound: 1-(2-methylphenyl)-3-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea

C791-0718 Screening compound: 1-(2-methylphenyl)-3-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea
C791-0718 Screening compound: 1-(2-methylphenyl)-3-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0718
1-(2-methylphenyl)-3-{4-[(4-methylphenyl)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

C791-0718

Molecular Formula

C24H23N3O2S (C24 H23 N3 O2 S)

Compound Name

1-(2-methylphenyl)-3-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea

IUPAC name

1-(2-methylphenyl)-3-{4-[(4-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl}urea

SMILES

Cc1ccc(CN2c(cc(cc3)NC(Nc4c(C)cccc4)=O)c3SCC2=O)cc1

InChI

InChI=1S/C24H23N3O2S/c1-16-7-9-18(10-8-16)14-27-21-13-19(11-12-22(21)30-15-23(27)28)25-24(29)26-20-6-4-3-5-17(20)2/h3-13H,14-15H2,1-2H3,(H2,25,26,29)

InChI Key

FDXRJXPZGGWUCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.233

Distribution Coefficient, logD

5.233

Water Solubility, LogSw

-4.90

Polar Surface Area

47.224

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C791-0718 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C791-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0718?
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What is the minimum amount of C791-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0718
  • 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 C791-0718 available by request