Y030-7460 Screening compound: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

Y030-7460 Screening compound: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
Y030-7460 Screening compound: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-7460
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

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

Y030-7460

Molecular Formula

C16H21N3OS (C16 H21 N3 OS)

Compound Name

N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

IUPAC name

N-[5-(22-dimethylpropyl)-134-thiadiazol-2-yl]-3-phenylpropanamide

SMILES

CC(C)(C)Cc1nnc(NC(CCc2ccccc2)=O)s1

InChI

InChI=1S/C16H21N3OS/c1-16(2,3)11-14-18-19-15(21-14)17-13(20)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,19,20)

InChI Key

VBDRDBIMDGRFTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03616265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.43

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

4.258

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.37

Polar Surface Area

47.156

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

Y030-7460 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y030-7460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-7460?
Check Price and Availability of Y030-7460, 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 Y030-7460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-7460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-7460
  • 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 Y030-7460 available by request