Y030-5619 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3-methylbutanamide

Y030-5619 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3-methylbutanamide
Y030-5619 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5619
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3-methylbutanamide

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

Y030-5619

Molecular Formula

C13H16N2O3S2 (C13 H16 N2 O3 S2)

Compound Name

N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3-methylbutanamide

IUPAC name

N-(6-methanesulfonyl-13-benzothiazol-2-yl)-3-methylbutanamide

SMILES

CC(C)CC(Nc1nc(ccc(S(C)(=O)=O)c2)c2s1)=O

InChI

InChI=1S/C13H16N2O3S2/c1-8(2)6-12(16)15-13-14-10-5-4-9(20(3,17)18)7-11(10)19-13/h4-5,7-8H,6H2,1-3H3,(H,14,15,16)

InChI Key

XPUZTISBOPKWFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01921467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.274

Distribution Coefficient, logD

2.274

Water Solubility, LogSw

-3.10

Polar Surface Area

62.898

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

Y030-5619 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y030-5619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5619?
Check Price and Availability of Y030-5619, 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 Y030-5619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5619
  • 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 Y030-5619 available by request