5645-0040 Screening compound: 3-(3-chlorophenyl)-7,8-dimethyl-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4(3H)-dione

5645-0040 Screening compound: 3-(3-chlorophenyl)-7,8-dimethyl-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4(3H)-dione
5645-0040 Screening compound: 3-(3-chlorophenyl)-7,8-dimethyl-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0040
3-(3-chlorophenyl)-7,8-dimethyl-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4(3H)-dione

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

5645-0040

Molecular Formula

C17H12ClN3O2S (C17 H12 ClN3 O2 S)

Compound Name

3-(3-chlorophenyl)-7,8-dimethyl-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4(3H)-dione

IUPAC name

12-(3-chlorophenyl)-45-dimethyl-8-thia-11012-triazatricyclo[7.4.0.0^{27}]trideca-2(7)359-tetraene-1113-dione

SMILES

Cc(c(C)c1)cc(N2C(N3c4cccc(Cl)c4)=O)c1SC2=NC3=O

InChI

InChI=1S/C17H12ClN3O2S/c1-9-6-13-14(7-10(9)2)24-16-19-15(22)20(17(23)21(13)16)12-5-3-4-11(18)8-12/h3-8H,1-2H3

InChI Key

CFXVUVNCHVGNKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.439

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.52

Polar Surface Area

40.538

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

5645-0040 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5645-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0040?
Check Price and Availability of 5645-0040, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5645-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0040
  • 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 5645-0040 available by request