L495-0546 Screening compound: N-(5-{[(2-phenylethyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide

L495-0546 Screening compound: N-(5-{[(2-phenylethyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
L495-0546 Screening compound: N-(5-{[(2-phenylethyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L495-0546
N-(5-{[(2-phenylethyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide

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

L495-0546

Molecular Formula

C23H20N4O2S (C23 H20 N4 O2 S)

Compound Name

N-(5-{[(2-phenylethyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide

IUPAC name

N-(5-{[(2-phenylethyl)carbamoyl]amino}-13-benzothiazol-2-yl)benzamide

SMILES

O=C(c1ccccc1)Nc1nc(cc(cc2)NC(NCCc3ccccc3)=O)c2s1

InChI

InChI=1S/C23H20N4O2S/c28-21(17-9-5-2-6-10-17)27-23-26-19-15-18(11-12-20(19)30-23)25-22(29)24-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H2,24,25,29)(H,26,27,28)

InChI Key

AZIORTQFULQFGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15128706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

4.831

Water Solubility, LogSw

-4.84

Polar Surface Area

66.558

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

L495-0546 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with L495-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L495-0546?
Check Price and Availability of L495-0546, 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 L495-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L495-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L495-0546
  • 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 L495-0546 available by request