Y030-6831 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylbutanamide

Y030-6831 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylbutanamide
Y030-6831 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-6831
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylbutanamide

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

Y030-6831

Molecular Formula

C18H18N2O2S (C18 H18 N2 O2 S)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylbutanamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-4-phenylbutanamide

SMILES

COc(cc1)cc2c1nc(NC(CCCc1ccccc1)=O)s2

InChI

InChI=1S/C18H18N2O2S/c1-22-14-10-11-15-16(12-14)23-18(19-15)20-17(21)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,20,21)

InChI Key

FKEDVMOFFJHVGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03270198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

4.691

Water Solubility, LogSw

-4.54

Polar Surface Area

40.421

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

Y030-6831 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Receptor's ligands
Targets:
  • Kinases
  • GPCR
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with Y030-6831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-6831?
Check Price and Availability of Y030-6831, 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 Y030-6831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-6831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-6831
  • 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 Y030-6831 available by request