C791-0719 Screening compound: 1-(3-chloro-2-methylphenyl)-3-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea

C791-0719 Screening compound: 1-(3-chloro-2-methylphenyl)-3-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea
C791-0719 Screening compound: 1-(3-chloro-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 C791-0719
1-(3-chloro-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

C791-0719

Molecular Formula

C24H22ClN3O2S (C24 H22 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN2c(cc(cc3)NC(Nc4cccc(Cl)c4C)=O)c3SCC2=O)cc1

InChI

InChI=1S/C24H22ClN3O2S/c1-15-6-8-17(9-7-15)13-28-21-12-18(10-11-22(21)31-14-23(28)29)26-24(30)27-20-5-3-4-19(25)16(20)2/h3-12H,13-14H2,1-2H3,(H2,26,27,30)

InChI Key

VDJQLHNVZJOHSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.98

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

6.245

Distribution Coefficient, logD

6.245

Water Solubility, LogSw

-6.09

Polar Surface Area

47.224

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C791-0719 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 C791-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0719?
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What is the minimum amount of C791-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0719
  • 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 C791-0719 available by request