Y030-9044 Screening compound: 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide

Y030-9044 Screening compound: 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
Y030-9044 Screening compound: 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9044
3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide

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

Y030-9044

Molecular Formula

C12H13N3OS (C12 H13 N3 OS)

Compound Name

3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide

IUPAC name

3-phenyl-N-(134-thiadiazol-2-yl)butanamide

SMILES

CC(CC(Nc1nncs1)=O)c1ccccc1

InChI

InChI=1S/C12H13N3OS/c1-9(10-5-3-2-4-6-10)7-11(16)14-12-15-13-8-17-12/h2-6,8-9H,7H2,1H3,(H,14,15,16)/t9-/m0/s1

InChI Key

WTGIKFBKHNYLOG-VIFPVBQESA-N

MDL Number (MFCD)

MFCD03930526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.642

Distribution Coefficient, logD

2.609

Water Solubility, LogSw

-3.15

Polar Surface Area

46.692

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y030-9044 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y030-9044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9044?
Check Price and Availability of Y030-9044, 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 Y030-9044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9044
  • 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 Y030-9044 available by request