8563-0783 Screening compound: 1-(1,3-benzothiazol-2-yl)-6-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one

8563-0783 Screening compound: 1-(1,3-benzothiazol-2-yl)-6-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one
8563-0783 Screening compound: 1-(1,3-benzothiazol-2-yl)-6-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-0783
1-(1,3-benzothiazol-2-yl)-6-(2-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

8563-0783

Molecular Formula

C21H17N3OS (C21 H17 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Cc2c3cnn2-c2nc(cccc4)c4s2)CC3=O)cccc1

InChI

InChI=1S/C21H17N3OS/c1-13-6-2-3-7-15(13)14-10-18-16(19(25)11-14)12-22-24(18)21-23-17-8-4-5-9-20(17)26-21/h2-9,12,14H,10-11H2,1H3/t14-/m1/s1

InChI Key

USZSCUPMBZEILA-CQSZACIVSA-N

MDL Number (MFCD)

MFCD08088604

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

5.404

Distribution Coefficient, logD

5.404

Water Solubility, LogSw

-5.25

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

8563-0783 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 8563-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0783?
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What is the minimum amount of 8563-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0783
  • 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 8563-0783 available by request