4491-1871 Screening compound: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide

4491-1871 Screening compound: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
4491-1871 Screening compound: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1871
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide

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

4491-1871

Molecular Formula

C21H22N2O2S (C21 H22 N2 O2 S)

Compound Name

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide

IUPAC name

N-[4-(4-methylphenyl)-13-thiazol-2-yl]-2-(236-trimethylphenoxy)acetamide

SMILES

Cc(cc1)ccc1-c1csc(NC(COc2c(C)c(C)ccc2C)=O)n1

InChI

InChI=1S/C21H22N2O2S/c1-13-5-9-17(10-6-13)18-12-26-21(22-18)23-19(24)11-25-20-15(3)8-7-14(2)16(20)4/h5-10,12H,11H2,1-4H3,(H,22,23,24)

InChI Key

KLARGBSSMKPFIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02960135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.504

Distribution Coefficient, logD

6.504

Water Solubility, LogSw

-5.65

Polar Surface Area

40.563

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4491-1871 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4491-1871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1871?
Check Price and Availability of 4491-1871, 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 4491-1871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1871
  • 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 4491-1871 available by request