6376-0028 Screening compound: N~1~-(5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-2-methoxybenzamide

6376-0028 Screening compound: N~1~-(5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-2-methoxybenzamide
6376-0028 Screening compound: N~1~-(5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6376-0028
N~1~-(5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-2-methoxybenzamide

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

6376-0028

Molecular Formula

C19H18N2O4S2 (C19 H18 N2 O4 S2)

Compound Name

N~1~-(5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-2-methoxybenzamide

IUPAC name

N-[(2Z)-55-dioxo-3-phenyl-hexahydro-5lambda6-thieno[34-d][13]thiazol-2-ylidene]-2-methoxybenzamide

SMILES

COc(cccc1)c1C(/N=C1\SC(CS(C2)(=O)=O)C2N1c1ccccc1)=O

InChI

InChI=1S/C19H18N2O4S2/c1-25-16-10-6-5-9-14(16)18(22)20-19-21(13-7-3-2-4-8-13)15-11-27(23,24)12-17(15)26-19/h2-10,15,17H,11-12H2,1H3

InChI Key

NVTHOMIZTHPVSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03847761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.936

Distribution Coefficient, logD

1.936

Water Solubility, LogSw

-2.75

Polar Surface Area

61.260

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

6376-0028 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 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
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 6376-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6376-0028?
Check Price and Availability of 6376-0028, 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 6376-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6376-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6376-0028
  • 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 6376-0028 available by request