Y031-6452 Screening compound: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide

Y031-6452 Screening compound: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide
Y031-6452 Screening compound: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6452
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide

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

Y031-6452

Molecular Formula

C18H25N3O3S (C18 H25 N3 O3 S)

Compound Name

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

IUPAC name

N-[5-(22-dimethylpropyl)-134-thiadiazol-2-yl]-34-diethoxybenzamide

SMILES

CCOc(ccc(C(Nc1nnc(CC(C)(C)C)s1)=O)c1)c1OCC

InChI

InChI=1S/C18H25N3O3S/c1-6-23-13-9-8-12(10-14(13)24-7-2)16(22)19-17-21-20-15(25-17)11-18(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,19,21,22)

InChI Key

NSEIHFIFWRIKJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03870013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.097

Distribution Coefficient, logD

3.907

Water Solubility, LogSw

-4.26

Polar Surface Area

61.790

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y031-6452 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-6452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6452?
Check Price and Availability of Y031-6452, 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 Y031-6452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6452
  • 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 Y031-6452 available by request