Y030-5083 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-methylbenzene-1-sulfonamide

Y030-5083 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-methylbenzene-1-sulfonamide
Y030-5083 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5083
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-methylbenzene-1-sulfonamide

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

Y030-5083

Molecular Formula

C15H14N2O4S3 (C15 H14 N2 O4 S3)

Compound Name

N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-(6-methanesulfonyl-13-benzothiazol-2-yl)-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc1nc(ccc(S(C)(=O)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C15H14N2O4S3/c1-10-3-5-11(6-4-10)24(20,21)17-15-16-13-8-7-12(23(2,18)19)9-14(13)22-15/h3-9H,1-2H3,(H,16,17)

InChI Key

LIESTRPWACVPAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.706

Distribution Coefficient, logD

2.096

Water Solubility, LogSw

-3.25

Polar Surface Area

80.398

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

Y030-5083 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 Y030-5083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5083?
Check Price and Availability of Y030-5083, 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 Y030-5083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5083
  • 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 Y030-5083 available by request