Y040-5195 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide

Y040-5195 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide
Y040-5195 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5195
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-benzothiazole-6-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

Y040-5195

Molecular Formula

C19H17N3OS (C19 H17 N3 OS)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-13-benzothiazole-6-carboxamide

SMILES

Cc1nc(ccc(C(NCCc2c[nH]c3c2cccc3)=O)c2)c2s1

InChI

InChI=1S/C19H17N3OS/c1-12-22-17-7-6-13(10-18(17)24-12)19(23)20-9-8-14-11-21-16-5-3-2-4-15(14)16/h2-7,10-11,21H,8-9H2,1H3,(H,20,23)

InChI Key

MUNDWHFFKYPXKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12208484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.89

Polar Surface Area

43.891

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

Y040-5195 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

PLpro Library (6343 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y040-5195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5195?
Check Price and Availability of Y040-5195, 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 Y040-5195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5195
  • 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 Y040-5195 available by request