Y040-5552 Screening compound: 2-(2-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

Y040-5552 Screening compound: 2-(2-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
Y040-5552 Screening compound: 2-(2-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5552
2-(2-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-5-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

Y040-5552

Molecular Formula

C21H18ClN3OS (C21 H18 ClN3 OS)

Compound Name

2-(2-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

2-(2-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methyl-13-thiazole-5-carboxamide

SMILES

Cc1c(C(NCCc2c[nH]c3c2cccc3)=O)sc(-c(cccc2)c2Cl)n1

InChI

InChI=1S/C21H18ClN3OS/c1-13-19(27-21(25-13)16-7-2-4-8-17(16)22)20(26)23-11-10-14-12-24-18-9-5-3-6-15(14)18/h2-9,12,24H,10-11H2,1H3,(H,23,26)

InChI Key

GEHLVYZDIDIKKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12199811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.884

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-4.81

Polar Surface Area

44.675

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

Y040-5552 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

MCL1 Targeted Library (12200 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-5552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5552?
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What is the minimum amount of Y040-5552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5552
  • 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 Y040-5552 available by request