V028-8504 Screening compound: 2-(2,4-dichlorobenzamido)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

V028-8504 Screening compound: 2-(2,4-dichlorobenzamido)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
V028-8504 Screening compound: 2-(2,4-dichlorobenzamido)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8504
2-(2,4-dichlorobenzamido)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-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

V028-8504

Molecular Formula

C20H17Cl2N3O4S (C20 H17 Cl2 N3 O4 S)

Compound Name

2-(2,4-dichlorobenzamido)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-(24-dichlorobenzamido)-N-[(23-dimethoxyphenyl)methyl]-13-thiazole-4-carboxamide

SMILES

COc1cccc(CNC(c2csc(NC(c(ccc(Cl)c3)c3Cl)=O)n2)=O)c1OC

InChI

InChI=1S/C20H17Cl2N3O4S/c1-28-16-5-3-4-11(17(16)29-2)9-23-19(27)15-10-30-20(24-15)25-18(26)13-7-6-12(21)8-14(13)22/h3-8,10H,9H2,1-2H3,(H,23,27)(H,24,25,26)

InChI Key

FBQMXUMLDRLQFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19976305

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-5.04

Polar Surface Area

73.137

Acid Dissociation Constant (pKa)

5.69

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

V028-8504 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V028-8504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8504?
Check Price and Availability of V028-8504, 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 V028-8504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8504
  • 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 V028-8504 available by request