Y031-0627 Screening compound: 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

Y031-0627 Screening compound: 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
Y031-0627 Screening compound: 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0627
3-phenyl-N-(5-propyl-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

Y031-0627

Molecular Formula

C15H19N3OS (C15 H19 N3 OS)

Compound Name

3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

IUPAC name

3-phenyl-N-(5-propyl-134-thiadiazol-2-yl)butanamide

SMILES

CCCc1nnc(NC(CC(C)c2ccccc2)=O)s1

InChI

InChI=1S/C15H19N3OS/c1-3-7-14-17-18-15(20-14)16-13(19)10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,16,18,19)/t11-/m0/s1

InChI Key

DBWDAXKDUKQWIF-NSHDSACASA-N

MDL Number (MFCD)

MFCD05668572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.09

Polar Surface Area

47.156

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y031-0627 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with Y031-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0627?
Check Price and Availability of Y031-0627, 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 Y031-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0627
  • 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 Y031-0627 available by request