Y031-0859 Screening compound: N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide

Y031-0859 Screening compound: N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
Y031-0859 Screening compound: N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0859
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide

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

Y031-0859

Molecular Formula

C16H21N3O5S (C16 H21 N3 O5 S)

Compound Name

N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[5-(2-ethoxyethyl)-134-thiadiazol-2-yl]-345-trimethoxybenzamide

SMILES

CCOCCc1nnc(NC(c(cc2OC)cc(OC)c2OC)=O)s1

InChI

InChI=1S/C16H21N3O5S/c1-5-24-7-6-13-18-19-16(25-13)17-15(20)10-8-11(21-2)14(23-4)12(9-10)22-3/h8-9H,5-7H2,1-4H3,(H,17,19,20)

InChI Key

LROLDPWYRSNIRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02034090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

2.341

Water Solubility, LogSw

-2.96

Polar Surface Area

78.325

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

Y031-0859 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0859?
Check Price and Availability of Y031-0859, 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 Y031-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0859
  • 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 Y031-0859 available by request