Y031-1080 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

Y031-1080 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide
Y031-1080 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1080
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

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

Y031-1080

Molecular Formula

C17H16N2O2S2 (C17 H16 N2 O2 S2)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

SMILES

COc(cc1)cc2c1nc(NC(CCSc1ccccc1)=O)s2

InChI

InChI=1S/C17H16N2O2S2/c1-21-12-7-8-14-15(11-12)23-17(18-14)19-16(20)9-10-22-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19,20)

InChI Key

NKAYXNPJNHEGML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04420234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.404

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.35

Polar Surface Area

40.421

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y031-1080 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-1080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1080?
Check Price and Availability of Y031-1080, 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 Y031-1080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1080
  • 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 Y031-1080 available by request