4100-3074 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide

4100-3074 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
4100-3074 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-3074
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide

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

4100-3074

Molecular Formula

C17H16N2O5S2 (C17 H16 N2 O5 S2)

Compound Name

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

IUPAC name

N-(6-methanesulfonyl-13-benzothiazol-2-yl)-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc1nc(ccc(S(C)(=O)=O)c2)c2s1)=O)c1)c1OC

InChI

InChI=1S/C17H16N2O5S2/c1-23-13-7-4-10(8-14(13)24-2)16(20)19-17-18-12-6-5-11(26(3,21)22)9-15(12)25-17/h4-9H,1-3H3,(H,18,19,20)

InChI Key

LCRJZLVGBQHPMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02718467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.200

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-3.08

Polar Surface Area

78.101

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4100-3074 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4100-3074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-3074?
Check Price and Availability of 4100-3074, 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 4100-3074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-3074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-3074
  • 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 4100-3074 available by request