C791-0239 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea

C791-0239 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea
C791-0239 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0239
1-(5-chloro-2-methoxyphenyl)-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

C791-0239

Molecular Formula

C17H16ClN3O3S (C17 H16 ClN3 O3 S)

Compound Name

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

IUPAC name

1-(5-chloro-2-methoxyphenyl)-3-(4-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)urea

SMILES

CN1c(cc(cc2)NC(Nc(cc(cc3)Cl)c3OC)=O)c2SCC1=O

InChI

InChI=1S/C17H16ClN3O3S/c1-21-13-8-11(4-6-15(13)25-9-16(21)22)19-17(23)20-12-7-10(18)3-5-14(12)24-2/h3-8H,9H2,1-2H3,(H2,19,20,23)

InChI Key

BYRGQULGENMRDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.420

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.95

Polar Surface Area

54.892

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C791-0239 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 C791-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0239?
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What is the minimum amount of C791-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0239
  • 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 C791-0239 available by request