4469-0612 Screening compound: N-(5-{2-[(5-chloro-2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide

4469-0612 Screening compound: N-(5-{2-[(5-chloro-2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide
4469-0612 Screening compound: N-(5-{2-[(5-chloro-2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4469-0612
N-(5-{2-[(5-chloro-2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-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

4469-0612

Molecular Formula

C21H17ClN4O2S2 (C21 H17 ClN4 O2 S2)

Compound Name

N-(5-{2-[(5-chloro-2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide

IUPAC name

n/a

SMILES

Cc1c(-c2csc(Nc(cc(cc3)Cl)c3OC)n2)sc(NC(c2ccccc2)=O)n1

InChI

InChI=1S/C21H17ClN4O2S2/c1-12-18(30-21(23-12)26-19(27)13-6-4-3-5-7-13)16-11-29-20(25-16)24-15-10-14(22)8-9-17(15)28-2/h3-11H,1-2H3,(H,24,25)(H,23,26,27)

InChI Key

RDOBOPJBMQURAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.308

Distribution Coefficient, logD

6.283

Water Solubility, LogSw

-6.17

Polar Surface Area

59.573

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

4469-0612 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

C-Met Library (15277 compounds)

Human Ion Channels Annotated Library (353 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4469-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4469-0612?
Check Price and Availability of 4469-0612, 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 4469-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4469-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4469-0612
  • 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 4469-0612 available by request