4386-3798 Screening compound: N-(3-CHLORO-4-METHYLPHENYL)-N-[3-ETHYL-4-[4-(MORPHOLINOSULFONYL)PHENYL]-1,3-THIAZOL-2(3H)-YLIDEN]AMINE

4386-3798 Screening compound: N-(3-CHLORO-4-METHYLPHENYL)-N-[3-ETHYL-4-[4-(MORPHOLINOSULFONYL)PHENYL]-1,3-THIAZOL-2(3H)-YLIDEN]AMINE
4386-3798 Screening compound: N-(3-CHLORO-4-METHYLPHENYL)-N-[3-ETHYL-4-[4-(MORPHOLINOSULFONYL)PHENYL]-1,3-THIAZOL-2(3H)-YLIDEN]AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-3798
N-(3-CHLORO-4-METHYLPHENYL)-N-[3-ETHYL-4-[4-(MORPHOLINOSULFONYL)PHENYL]-1,3-THIAZOL-2(3H)-YLIDEN]AMINE

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

4386-3798

Molecular Formula

C22H24ClN3O3S2 (C22 H24 ClN3 O3 S2)

Compound Name

N-(3-CHLORO-4-METHYLPHENYL)-N-[3-ETHYL-4-[4-(MORPHOLINOSULFONYL)PHENYL]-1,3-THIAZOL-2(3H)-YLIDEN]AMINE

IUPAC name

(2Z)-N-(3-chloro-4-methylphenyl)-3-ethyl-4-[4-(morpholine-4-sulfonyl)phenyl]-23-dihydro-13-thiazol-2-imine

SMILES

CCN(C(c(cc1)ccc1S(N1CCOCC1)(=O)=O)=CS1)/C1=N/c1cc(Cl)c(C)cc1

InChI

InChI=1S/C22H24ClN3O3S2/c1-3-26-21(15-30-22(26)24-18-7-4-16(2)20(23)14-18)17-5-8-19(9-6-17)31(27,28)25-10-12-29-13-11-25/h4-9,14-15H,3,10-13H2,1-2H3

InChI Key

OCTUFSSTEQFQCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.333

Distribution Coefficient, logD

5.333

Water Solubility, LogSw

-6.06

Polar Surface Area

50.919

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

4386-3798 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 4386-3798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-3798?
Check Price and Availability of 4386-3798, 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 4386-3798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-3798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-3798
  • 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 4386-3798 available by request