C301-8927 Screening compound: N~3~-benzyl-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide

C301-8927 Screening compound: N~3~-benzyl-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
C301-8927 Screening compound: N~3~-benzyl-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8927
N~3~-benzyl-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

C301-8927

Molecular Formula

C18H15N3O3S2 (C18 H15 N3 O3 S2)

Compound Name

N~3~-benzyl-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide

IUPAC name

N-benzyl-11-methyl-13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-246911-pentaene-12-sulfonamide

SMILES

CC(N=C1Sc(cccc2)c2N1C1=O)=C1S(NCc1ccccc1)(=O)=O

InChI

InChI=1S/C18H15N3O3S2/c1-12-16(26(23,24)19-11-13-7-3-2-4-8-13)17(22)21-14-9-5-6-10-15(14)25-18(21)20-12/h2-10,19H,11H2,1H3

InChI Key

KJXXHYLXZIYPOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

2.257

Water Solubility, LogSw

-2.64

Polar Surface Area

66.442

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C301-8927 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Targeted Diversity Library (40567 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 C301-8927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8927?
Check Price and Availability of C301-8927, 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 C301-8927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8927
  • 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 C301-8927 available by request