Y030-5131 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)methanesulfonamide

Y030-5131 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)methanesulfonamide
Y030-5131 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5131
N-(6-methoxy-1,3-benzothiazol-2-yl)methanesulfonamide

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

Y030-5131

Molecular Formula

C9H10N2O3S2 (C9 H10 N2 O3 S2)

Compound Name

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

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)methanesulfonamide

SMILES

COc(cc1)cc2c1nc(NS(C)(=O)=O)s2

InChI

InChI=1S/C9H10N2O3S2/c1-14-6-3-4-7-8(5-6)15-9(10-7)11-16(2,12)13/h3-5H,1-2H3,(H,10,11)

InChI Key

YFDKSDYHSGJTGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02861888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.015

Distribution Coefficient, logD

1.969

Water Solubility, LogSw

-2.91

Polar Surface Area

59.411

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

Y030-5131 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels
  • Others

References: we are preparing a list of scientific research reports with Y030-5131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5131?
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What is the minimum amount of Y030-5131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5131
  • 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 Y030-5131 available by request