4576-0024 Screening compound: 2-chloroethyl N-[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-thiazol-5-yl]carbamate

4576-0024 Screening compound: 2-chloroethyl N-[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-thiazol-5-yl]carbamate
4576-0024 Screening compound: 2-chloroethyl N-[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-thiazol-5-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4576-0024
2-chloroethyl N-[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-thiazol-5-yl]carbamate

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

4576-0024

Molecular Formula

C14H16ClN3O4S2 (C14 H16 ClN3 O4 S2)

Compound Name

2-chloroethyl N-[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-thiazol-5-yl]carbamate

IUPAC name

2-chloroethyl N-[4-methyl-2-(4-methylbenzenesulfonamido)-13-thiazol-5-yl]carbamate

SMILES

Cc1c(NC(OCCCl)=O)sc(NS(c2ccc(C)cc2)(=O)=O)n1

InChI

InChI=1S/C14H16ClN3O4S2/c1-9-3-5-11(6-4-9)24(20,21)18-13-16-10(2)12(23-13)17-14(19)22-8-7-15/h3-6H,7-8H2,1-2H3,(H,16,18)(H,17,19)

InChI Key

CZNVCLKSSVUTBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03190328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.210

Distribution Coefficient, logD

1.386

Water Solubility, LogSw

-3.53

Polar Surface Area

82.025

Acid Dissociation Constant (pKa)

5.58

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4576-0024 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4576-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4576-0024?
Check Price and Availability of 4576-0024, 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 4576-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4576-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4576-0024
  • 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 4576-0024 available by request