5239-0042 Screening compound: N-{[(1,3-benzothiazol-2-yl)carbamoyl]methyl}-2-phenoxyacetamide

5239-0042 Screening compound: N-{[(1,3-benzothiazol-2-yl)carbamoyl]methyl}-2-phenoxyacetamide
5239-0042 Screening compound: N-{[(1,3-benzothiazol-2-yl)carbamoyl]methyl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5239-0042
N-{[(1,3-benzothiazol-2-yl)carbamoyl]methyl}-2-phenoxyacetamide

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

5239-0042

Molecular Formula

C17H15N3O3S (C17 H15 N3 O3 S)

Compound Name

N-{[(1,3-benzothiazol-2-yl)carbamoyl]methyl}-2-phenoxyacetamide

IUPAC name

N-{[(13-benzothiazol-2-yl)carbamoyl]methyl}-2-phenoxyacetamide

SMILES

O=C(CNC(COc1ccccc1)=O)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C17H15N3O3S/c21-15(20-17-19-13-8-4-5-9-14(13)24-17)10-18-16(22)11-23-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,22)(H,19,20,21)

InChI Key

JELMEQZRNSXZTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03706950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.259

Distribution Coefficient, logD

3.259

Water Solubility, LogSw

-3.40

Polar Surface Area

64.848

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

5239-0042 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5239-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5239-0042?
Check Price and Availability of 5239-0042, 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 5239-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5239-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5239-0042
  • 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 5239-0042 available by request