8004-5095 Screening compound: 4-[2-(3,4-DIMETHYLANILINO)-1,3-THIAZOL-4-YL]-N,N-DIETHYL-1-BENZENESULFONAMIDE

8004-5095 Screening compound: 4-[2-(3,4-DIMETHYLANILINO)-1,3-THIAZOL-4-YL]-N,N-DIETHYL-1-BENZENESULFONAMIDE
8004-5095 Screening compound: 4-[2-(3,4-DIMETHYLANILINO)-1,3-THIAZOL-4-YL]-N,N-DIETHYL-1-BENZENESULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5095
4-[2-(3,4-DIMETHYLANILINO)-1,3-THIAZOL-4-YL]-N,N-DIETHYL-1-BENZENESULFONAMIDE

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

8004-5095

Molecular Formula

C21H25N3O2S2 (C21 H25 N3 O2 S2)

Compound Name

4-[2-(3,4-DIMETHYLANILINO)-1,3-THIAZOL-4-YL]-N,N-DIETHYL-1-BENZENESULFONAMIDE

IUPAC name

n/a

SMILES

CCN(CC)S(c(cc1)ccc1-c1csc(Nc2cc(C)c(C)cc2)n1)(=O)=O

InChI

InChI=1S/C21H25N3O2S2/c1-5-24(6-2)28(25,26)19-11-8-17(9-12-19)20-14-27-21(23-20)22-18-10-7-15(3)16(4)13-18/h7-14H,5-6H2,1-4H3,(H,22,23)

InChI Key

CFAYJTHICHSZHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745924

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

415.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.198

Distribution Coefficient, logD

6.198

Water Solubility, LogSw

-5.59

Polar Surface Area

50.022

Acid Dissociation Constant (pKa)

20.72

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

8004-5095 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8004-5095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5095?
Check Price and Availability of 8004-5095, 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 8004-5095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5095
  • 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 8004-5095 available by request