C791-0744 Screening compound: 1-[(3-bromophenyl)methyl]-3-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea

C791-0744 Screening compound: 1-[(3-bromophenyl)methyl]-3-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl}urea
C791-0744 Screening compound: 1-[(3-bromophenyl)methyl]-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 C791-0744
1-[(3-bromophenyl)methyl]-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

C791-0744

Molecular Formula

C24H22BrN3O2S (C24 H22 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN2c(cc(cc3)NC(NCc4cccc(Br)c4)=O)c3SCC2=O)cc1

InChI

InChI=1S/C24H22BrN3O2S/c1-16-5-7-17(8-6-16)14-28-21-12-20(9-10-22(21)31-15-23(28)29)27-24(30)26-13-18-3-2-4-19(25)11-18/h2-12H,13-15H2,1H3,(H2,26,27,30)

InChI Key

YBIBZZXJJSUXRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.407

Distribution Coefficient, logD

5.407

Water Solubility, LogSw

-5.29

Polar Surface Area

49.244

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C791-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0744?
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What is the minimum amount of C791-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0744
  • 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 C791-0744 available by request