Y031-0831 Screening compound: 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide

Y031-0831 Screening compound: 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide
Y031-0831 Screening compound: 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0831
2-(3,4-dimethoxyphenyl)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-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

Y031-0831

Molecular Formula

C16H21N3O4S (C16 H21 N3 O4 S)

Compound Name

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

IUPAC name

2-(34-dimethoxyphenyl)-N-[5-(2-ethoxyethyl)-134-thiadiazol-2-yl]acetamide

SMILES

CCOCCc1nnc(NC(Cc(cc2)cc(OC)c2OC)=O)s1

InChI

InChI=1S/C16H21N3O4S/c1-4-23-8-7-15-18-19-16(24-15)17-14(20)10-11-5-6-12(21-2)13(9-11)22-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,19,20)

InChI Key

LGZKVSLCKNCHSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06153151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.024

Distribution Coefficient, logD

1.824

Water Solubility, LogSw

-2.85

Polar Surface Area

70.395

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

Y031-0831 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Anti-HIV1 Library (19540 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0831?
Check Price and Availability of Y031-0831, 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 Y031-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0831
  • 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 Y031-0831 available by request