0590-0176 Screening compound: 2,3,4,5,6-pentachloro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide

0590-0176 Screening compound: 2,3,4,5,6-pentachloro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
0590-0176 Screening compound: 2,3,4,5,6-pentachloro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0590-0176
2,3,4,5,6-pentachloro-N-(5-methyl-4-phenyl-1,3-thiazol-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

0590-0176

Molecular Formula

C17H9Cl5N2OS (C17 H9 Cl5 N2 OS)

Compound Name

2,3,4,5,6-pentachloro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide

IUPAC name

23456-pentachloro-N-(5-methyl-4-phenyl-13-thiazol-2-yl)benzamide

SMILES

Cc1c(-c2ccccc2)nc(NC(c(c(Cl)c(c(Cl)c2Cl)Cl)c2Cl)=O)s1

InChI

InChI=1S/C17H9Cl5N2OS/c1-7-15(8-5-3-2-4-6-8)23-17(26-7)24-16(25)9-10(18)12(20)14(22)13(21)11(9)19/h2-6H,1H3,(H,23,24,25)

InChI Key

BFYBWQJGQNFCNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.254

Distribution Coefficient, logD

4.404

Water Solubility, LogSw

-7.44

Polar Surface Area

33.875

Acid Dissociation Constant (pKa)

4.55

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

0590-0176 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0590-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0590-0176?
Check Price and Availability of 0590-0176, 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 0590-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0590-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0590-0176
  • 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 0590-0176 available by request