4491-1872 Screening compound: N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide

4491-1872 Screening compound: N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
4491-1872 Screening compound: N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1872
N-[5-methyl-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

4491-1872

Molecular Formula

C22H24N2O2S (C22 H24 N2 O2 S)

Compound Name

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide

IUPAC name

N-[5-methyl-4-(4-methylphenyl)-13-thiazol-2-yl]-2-(236-trimethylphenoxy)acetamide

SMILES

Cc1c(-c2ccc(C)cc2)nc(NC(COc2c(C)c(C)ccc2C)=O)s1

InChI

InChI=1S/C22H24N2O2S/c1-13-6-10-18(11-7-13)20-17(5)27-22(24-20)23-19(25)12-26-21-15(3)9-8-14(2)16(21)4/h6-11H,12H2,1-5H3,(H,23,24,25)

InChI Key

UPGYVCNXAUASGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02960136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

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

6.398

Distribution Coefficient, logD

6.398

Water Solubility, LogSw

-5.66

Polar Surface Area

41.334

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4491-1872 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4491-1872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1872?
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What is the minimum amount of 4491-1872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1872
  • 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 4491-1872 available by request