C301-8901 Screening compound: N~3~-(4-bromo-3-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide

C301-8901 Screening compound: N~3~-(4-bromo-3-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
C301-8901 Screening compound: N~3~-(4-bromo-3-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8901
N~3~-(4-bromo-3-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide

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

C301-8901

Molecular Formula

C18H14BrN3O3S2 (C18 H14 BrN3 O3 S2)

Compound Name

N~3~-(4-bromo-3-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide

IUPAC name

N-(4-bromo-3-methylphenyl)-11-methyl-13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-246911-pentaene-12-sulfonamide

SMILES

Cc(cc(cc1)NS(C2=C(C)N=C3Sc(cccc4)c4N3C2=O)(=O)=O)c1Br

InChI

InChI=1S/C18H14BrN3O3S2/c1-10-9-12(7-8-13(10)19)21-27(24,25)16-11(2)20-18-22(17(16)23)14-5-3-4-6-15(14)26-18/h3-9,21H,1-2H3

InChI Key

FGNQYPBMYDEZEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

1.068

Water Solubility, LogSw

-3.97

Polar Surface Area

65.333

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

-5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C301-8901 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

C-Met Library (15277 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-8901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8901?
Check Price and Availability of C301-8901, 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 C301-8901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8901
  • 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 C301-8901 available by request