4112-1773 Screening compound: N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylphenoxy)butanamide

4112-1773 Screening compound: N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylphenoxy)butanamide
4112-1773 Screening compound: N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylphenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-1773
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylphenoxy)butanamide

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

4112-1773

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylphenoxy)butanamide

IUPAC name

N-[4-(4-ethoxyphenyl)-13-thiazol-2-yl]-4-(2-methylphenoxy)butanamide

SMILES

CCOc(cc1)ccc1-c1csc(NC(CCCOc2c(C)cccc2)=O)n1

InChI

InChI=1S/C22H24N2O3S/c1-3-26-18-12-10-17(11-13-18)19-15-28-22(23-19)24-21(25)9-6-14-27-20-8-5-4-7-16(20)2/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3,(H,23,24,25)

InChI Key

JHAVYEOOMNQNCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02362978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.590

Distribution Coefficient, logD

5.590

Water Solubility, LogSw

-5.34

Polar Surface Area

47.519

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4112-1773 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4112-1773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-1773?
Check Price and Availability of 4112-1773, 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 4112-1773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-1773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-1773
  • 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 4112-1773 available by request