L495-0554 Screening compound: N-[5-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-1,3-benzothiazol-2-yl]benzamide

L495-0554 Screening compound: N-[5-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-1,3-benzothiazol-2-yl]benzamide
L495-0554 Screening compound: N-[5-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-1,3-benzothiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L495-0554
N-[5-({[3-(methylsulfanyl)phenyl]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

L495-0554

Molecular Formula

C22H18N4O2S2 (C22 H18 N4 O2 S2)

Compound Name

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

IUPAC name

N-[5-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-13-benzothiazol-2-yl]benzamide

SMILES

CSc1cccc(NC(Nc(cc2)cc3c2sc(NC(c2ccccc2)=O)n3)=O)c1

InChI

InChI=1S/C22H18N4O2S2/c1-29-17-9-5-8-15(12-17)23-21(28)24-16-10-11-19-18(13-16)25-22(30-19)26-20(27)14-6-3-2-4-7-14/h2-13H,1H3,(H2,23,24,28)(H,25,26,27)

InChI Key

XXJMXTUBUARQGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15128711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.903

Distribution Coefficient, logD

5.900

Water Solubility, LogSw

-5.55

Polar Surface Area

65.394

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

L495-0554 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L495-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L495-0554?
Check Price and Availability of L495-0554, 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 L495-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L495-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L495-0554
  • 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 L495-0554 available by request