7954-0585 Screening compound: benzyl 2-[(3-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-cyano-1,2-thiazol-5-yl)sulfanyl]acetate

7954-0585 Screening compound: benzyl 2-[(3-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-cyano-1,2-thiazol-5-yl)sulfanyl]acetate
7954-0585 Screening compound: benzyl 2-[(3-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-cyano-1,2-thiazol-5-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-0585
benzyl 2-[(3-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-cyano-1,2-thiazol-5-yl)sulfanyl]acetate

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

7954-0585

Molecular Formula

C22H18N2O4S3 (C22 H18 N2 O4 S3)

Compound Name

benzyl 2-[(3-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-cyano-1,2-thiazol-5-yl)sulfanyl]acetate

IUPAC name

benzyl 2-[(3-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-cyano-12-thiazol-5-yl)sulfanyl]acetate

SMILES

N#Cc1c(SCC(OCc2ccccc2)=O)snc1SCC(OCc1ccccc1)=O

InChI

InChI=1S/C22H18N2O4S3/c23-11-18-21(29-14-19(25)27-12-16-7-3-1-4-8-16)24-31-22(18)30-15-20(26)28-13-17-9-5-2-6-10-17/h1-10H,12-15H2

InChI Key

FESKORARFOGMKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.343

Distribution Coefficient, logD

5.343

Water Solubility, LogSw

-5.65

Polar Surface Area

68.443

Acid Dissociation Constant (pKa)

20.91

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

7954-0585 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 7954-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-0585?
Check Price and Availability of 7954-0585, 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 7954-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-0585
  • 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 7954-0585 available by request