Y042-4208 Screening compound: N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)propanamide

Y042-4208 Screening compound: N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)propanamide
Y042-4208 Screening compound: N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4208
N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)propanamide

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

Y042-4208

Molecular Formula

C16H21N3O2S (C16 H21 N3 O2 S)

Compound Name

N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)propanamide

IUPAC name

N-(5-tert-butyl-134-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide

SMILES

CC(C)(C)c1nnc(NC(CCc(cccc2)c2OC)=O)s1

InChI

InChI=1S/C16H21N3O2S/c1-16(2,3)14-18-19-15(22-14)17-13(20)10-9-11-7-5-6-8-12(11)21-4/h5-8H,9-10H2,1-4H3,(H,17,19,20)

InChI Key

BLFAWLIYWWUPKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13761224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.875

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-4.01

Polar Surface Area

54.292

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

Y042-4208 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y042-4208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4208?
Check Price and Availability of Y042-4208, 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 Y042-4208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4208
  • 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 Y042-4208 available by request