Y031-0005 Screening compound: 3-(2-ethylbutanamido)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

Y031-0005 Screening compound: 3-(2-ethylbutanamido)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
Y031-0005 Screening compound: 3-(2-ethylbutanamido)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0005
3-(2-ethylbutanamido)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

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

Y031-0005

Molecular Formula

C16H20N4O2S (C16 H20 N4 O2 S)

Compound Name

3-(2-ethylbutanamido)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

IUPAC name

3-(2-ethylbutanamido)-N-(5-methyl-134-thiadiazol-2-yl)benzamide

SMILES

CCC(CC)C(Nc1cccc(C(Nc2nnc(C)s2)=O)c1)=O

InChI

InChI=1S/C16H20N4O2S/c1-4-11(5-2)14(21)17-13-8-6-7-12(9-13)15(22)18-16-20-19-10(3)23-16/h6-9,11H,4-5H2,1-3H3,(H,17,21)(H,18,20,22)

InChI Key

VNQOCQNKTUYFTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06151209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

2.272

Water Solubility, LogSw

-3.27

Polar Surface Area

70.044

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

Y031-0005 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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 Y031-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0005?
Check Price and Availability of Y031-0005, 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 Y031-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0005
  • 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 Y031-0005 available by request