Y030-8780 Screening compound: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide

Y030-8780 Screening compound: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
Y030-8780 Screening compound: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8780
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide

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

Y030-8780

Molecular Formula

C18H17N3O3S (C18 H17 N3 O3 S)

Compound Name

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide

IUPAC name

N-(5-benzyl-134-thiadiazol-2-yl)-35-dimethoxybenzamide

SMILES

COc1cc(C(Nc2nnc(Cc3ccccc3)s2)=O)cc(OC)c1

InChI

InChI=1S/C18H17N3O3S/c1-23-14-9-13(10-15(11-14)24-2)17(22)19-18-21-20-16(25-18)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,19,21,22)

InChI Key

SLSQCBHPELEGDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03929882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.002

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.29

Polar Surface Area

62.186

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y030-8780 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with Y030-8780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8780?
Check Price and Availability of Y030-8780, 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 Y030-8780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8780
  • 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 Y030-8780 available by request