Y030-7457 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide

Y030-7457 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Y030-7457 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-7457
N-(5-cyclohexyl-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

Y030-7457

Molecular Formula

C17H21N3OS (C17 H21 N3 OS)

Compound Name

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide

IUPAC name

N-(5-cyclohexyl-134-thiadiazol-2-yl)-3-phenylpropanamide

SMILES

O=C(CCc1ccccc1)Nc1nnc(C2CCCCC2)s1

InChI

InChI=1S/C17H21N3OS/c21-15(12-11-13-7-3-1-4-8-13)18-17-20-19-16(22-17)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,20,21)

InChI Key

IELGETFUBXUCPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03616263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.33

Polar Surface Area

46.582

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

Y030-7457 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y030-7457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-7457?
Check Price and Availability of Y030-7457, 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 Y030-7457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-7457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-7457
  • 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 Y030-7457 available by request