0591-5455 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-[1,1'-biphenyl]-4-carboxamide

0591-5455 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-[1,1'-biphenyl]-4-carboxamide
0591-5455 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-[1,1'-biphenyl]-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5455
N-(6-methyl-1,3-benzothiazol-2-yl)-[1,1'-biphenyl]-4-carboxamide

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

0591-5455

Molecular Formula

C21H16N2OS (C21 H16 N2 OS)

Compound Name

N-(6-methyl-1,3-benzothiazol-2-yl)-[1,1'-biphenyl]-4-carboxamide

IUPAC name

N-(6-methyl-13-benzothiazol-2-yl)-[11'-biphenyl]-4-carboxamide

SMILES

Cc(cc1)cc2c1nc(NC(c(cc1)ccc1-c1ccccc1)=O)s2

InChI

InChI=1S/C21H16N2OS/c1-14-7-12-18-19(13-14)25-21(22-18)23-20(24)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23,24)

InChI Key

ICSDHQVGLPWVDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.998

Distribution Coefficient, logD

5.997

Water Solubility, LogSw

-5.62

Polar Surface Area

32.819

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

0591-5455 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

C-Met Library (15277 compounds)

Proline Kinase Library (2105 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Kinases
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0591-5455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5455?
Check Price and Availability of 0591-5455, 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 0591-5455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5455
  • 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 0591-5455 available by request