8563-0780 Screening compound: 1-(1,3-benzothiazol-2-yl)-6-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one

8563-0780 Screening compound: 1-(1,3-benzothiazol-2-yl)-6-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one
8563-0780 Screening compound: 1-(1,3-benzothiazol-2-yl)-6-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-0780
1-(1,3-benzothiazol-2-yl)-6-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one

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

8563-0780

Molecular Formula

C21H17N3OS (C21 H17 N3 OS)

Compound Name

1-(1,3-benzothiazol-2-yl)-6-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one

IUPAC name

1-(13-benzothiazol-2-yl)-6-(4-methylphenyl)-4567-tetrahydro-1H-indazol-4-one

SMILES

Cc1ccc(C(Cc2c3cnn2-c2nc(cccc4)c4s2)CC3=O)cc1

InChI

InChI=1S/C21H17N3OS/c1-13-6-8-14(9-7-13)15-10-18-16(19(25)11-15)12-22-24(18)21-23-17-4-2-3-5-20(17)26-21/h2-9,12,15H,10-11H2,1H3/t15-/m1/s1

InChI Key

LYLUPFMXCNGYJB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08088601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.522

Distribution Coefficient, logD

5.522

Water Solubility, LogSw

-5.32

Polar Surface Area

36.720

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8563-0780 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8563-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0780?
Check Price and Availability of 8563-0780, 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 8563-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0780
  • 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 8563-0780 available by request