5596-0451 Screening compound: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide

5596-0451 Screening compound: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
5596-0451 Screening compound: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-0451
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide

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

5596-0451

Molecular Formula

C20H20N2O2S (C20 H20 N2 O2 S)

Compound Name

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide

IUPAC name

N-[4-(4-methylphenyl)-13-thiazol-2-yl]-4-phenoxybutanamide

SMILES

Cc(cc1)ccc1-c1csc(NC(CCCOc2ccccc2)=O)n1

InChI

InChI=1S/C20H20N2O2S/c1-15-9-11-16(12-10-15)18-14-25-20(21-18)22-19(23)8-5-13-24-17-6-3-2-4-7-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,21,22,23)

InChI Key

MLSUKZWPFRKBCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02358402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.205

Distribution Coefficient, logD

5.205

Water Solubility, LogSw

-5.02

Polar Surface Area

40.309

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5596-0451 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with 5596-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-0451?
Check Price and Availability of 5596-0451, 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 5596-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-0451
  • 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 5596-0451 available by request