4576-0063 Screening compound: 2-(2,5-dimethylbenzenesulfonamido)ethyl N-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)carbamate

4576-0063 Screening compound: 2-(2,5-dimethylbenzenesulfonamido)ethyl N-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)carbamate
4576-0063 Screening compound: 2-(2,5-dimethylbenzenesulfonamido)ethyl N-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4576-0063
2-(2,5-dimethylbenzenesulfonamido)ethyl N-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-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

4576-0063

Molecular Formula

C16H21N3O4S3 (C16 H21 N3 O4 S3)

Compound Name

2-(2,5-dimethylbenzenesulfonamido)ethyl N-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)carbamate

IUPAC name

2-(25-dimethylbenzenesulfonamido)ethyl N-(34-dimethyl-2-sulfanylidene-23-dihydro-13-thiazol-5-yl)carbamate

SMILES

CC(N1C)=C(NC(OCCNS(c2c(C)ccc(C)c2)(=O)=O)=O)SC1=S

InChI

InChI=1S/C16H21N3O4S3/c1-10-5-6-11(2)13(9-10)26(21,22)17-7-8-23-15(20)18-14-12(3)19(4)16(24)25-14/h5-6,9,17H,7-8H2,1-4H3,(H,18,20)

InChI Key

WYGAGHAVIDWXPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03192629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.241

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.34

Polar Surface Area

75.314

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

4576-0063 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4576-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4576-0063?
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What is the minimum amount of 4576-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4576-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4576-0063
  • 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 4576-0063 available by request