3931-1798 Screening compound: 2-(2-tert-butyl-4-methylphenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

3931-1798 Screening compound: 2-(2-tert-butyl-4-methylphenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
3931-1798 Screening compound: 2-(2-tert-butyl-4-methylphenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-1798
2-(2-tert-butyl-4-methylphenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]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

3931-1798

Molecular Formula

C23H26N2O2S (C23 H26 N2 O2 S)

Compound Name

2-(2-tert-butyl-4-methylphenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

IUPAC name

2-(2-tert-butyl-4-methylphenoxy)-N-[4-(4-methylphenyl)-13-thiazol-2-yl]acetamide

SMILES

CC(C)(C)c(cc(C)cc1)c1OCC(Nc1nc(-c2ccc(C)cc2)cs1)=O

InChI

InChI=1S/C23H26N2O2S/c1-15-6-9-17(10-7-15)19-14-28-22(24-19)25-21(26)13-27-20-11-8-16(2)12-18(20)23(3,4)5/h6-12,14H,13H2,1-5H3,(H,24,25,26)

InChI Key

BLQTWQODPZIVMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02358385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.758

Distribution Coefficient, logD

6.758

Water Solubility, LogSw

-5.57

Polar Surface Area

40.477

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

3931-1798 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 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 3931-1798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-1798?
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What is the minimum amount of 3931-1798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-1798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-1798
  • 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 3931-1798 available by request