Y030-5459 Screening compound: 3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

Y030-5459 Screening compound: 3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
Y030-5459 Screening compound: 3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5459
3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

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

Y030-5459

Molecular Formula

C12H13N3O4S (C12 H13 N3 O4 S)

Compound Name

3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

IUPAC name

345-trimethoxy-N-(134-thiadiazol-2-yl)benzamide

SMILES

COc1cc(C(Nc2nncs2)=O)cc(OC)c1OC

InChI

InChI=1S/C12H13N3O4S/c1-17-8-4-7(5-9(18-2)10(8)19-3)11(16)14-12-15-13-6-20-12/h4-6H,1-3H3,(H,14,15,16)

InChI Key

HQQUZFIPJBWCSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00522881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.405

Distribution Coefficient, logD

1.400

Water Solubility, LogSw

-2.28

Polar Surface Area

69.883

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y030-5459 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y030-5459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5459?
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What is the minimum amount of Y030-5459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5459
  • 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 Y030-5459 available by request