8002-0620 Screening compound: 4-(3-chlorophenyl)-2-(3-isopropyl-5,5-dimethyl-2-thioxo-1,3-thiazolan-4-yl)-1,2,4-oxadiazolane-3,5-dione

8002-0620 Screening compound: 4-(3-chlorophenyl)-2-(3-isopropyl-5,5-dimethyl-2-thioxo-1,3-thiazolan-4-yl)-1,2,4-oxadiazolane-3,5-dione
8002-0620 Screening compound: 4-(3-chlorophenyl)-2-(3-isopropyl-5,5-dimethyl-2-thioxo-1,3-thiazolan-4-yl)-1,2,4-oxadiazolane-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-0620
4-(3-chlorophenyl)-2-(3-isopropyl-5,5-dimethyl-2-thioxo-1,3-thiazolan-4-yl)-1,2,4-oxadiazolane-3,5-dione

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

8002-0620

Molecular Formula

C16H18ClN3O3S2 (C16 H18 ClN3 O3 S2)

Compound Name

4-(3-chlorophenyl)-2-(3-isopropyl-5,5-dimethyl-2-thioxo-1,3-thiazolan-4-yl)-1,2,4-oxadiazolane-3,5-dione

IUPAC name

4-(3-chlorophenyl)-2-[55-dimethyl-3-(propan-2-yl)-2-sulfanylidene-13-thiazolidin-4-yl]-124-oxadiazolidine-35-dione

SMILES

CC(C)N(C(C(C)(C)S1)N(C(N2c3cccc(Cl)c3)=O)OC2=O)C1=S

InChI

InChI=1S/C16H18ClN3O3S2/c1-9(2)18-12(16(3,4)25-15(18)24)20-13(21)19(14(22)23-20)11-7-5-6-10(17)8-11/h5-9,12H,1-4H3/t12-/m0/s1

InChI Key

KQYTYULKSCKAJL-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00545702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.020

Distribution Coefficient, logD

4.020

Water Solubility, LogSw

-4.34

Polar Surface Area

45.320

Acid Dissociation Constant (pKa)

30.68

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

8002-0620 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Protein Arginine Methyltransferases Library (27925 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8002-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-0620?
Check Price and Availability of 8002-0620, 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 8002-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-0620
  • 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 8002-0620 available by request