E146-0905 Screening compound: N-(3-chlorophenyl)-N-methyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide

E146-0905 Screening compound: N-(3-chlorophenyl)-N-methyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
E146-0905 Screening compound: N-(3-chlorophenyl)-N-methyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E146-0905
N-(3-chlorophenyl)-N-methyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-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

E146-0905

Molecular Formula

C18H13ClN2O2S (C18 H13 ClN2 O2 S)

Compound Name

N-(3-chlorophenyl)-N-methyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide

IUPAC name

N-(3-chlorophenyl)-N-methyl-4H-thiochromeno[34-d][12]oxazole-3-carboxamide

SMILES

CN(C(c1noc-2c1CSc1c2cccc1)=O)c1cccc(Cl)c1

InChI

InChI=1S/C18H13ClN2O2S/c1-21(12-6-4-5-11(19)9-12)18(22)16-14-10-24-15-8-3-2-7-13(15)17(14)23-20-16/h2-9H,10H2,1H3

InChI Key

PSCVOSGUGNDOOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14842803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.50

Polar Surface Area

37.688

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E146-0905 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E146-0905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E146-0905?
Check Price and Availability of E146-0905, 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 E146-0905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E146-0905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E146-0905
  • 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 E146-0905 available by request