D128-0609 Screening compound: N~1~-(5,5-dioxo-3-phenethylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-3-methylbutanamide

D128-0609 Screening compound: N~1~-(5,5-dioxo-3-phenethylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-3-methylbutanamide
D128-0609 Screening compound: N~1~-(5,5-dioxo-3-phenethylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D128-0609
N~1~-(5,5-dioxo-3-phenethylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-3-methylbutanamide

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

D128-0609

Molecular Formula

C18H24N2O3S2 (C18 H24 N2 O3 S2)

Compound Name

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

IUPAC name

N-[(2E)-55-dioxo-3-(2-phenylethyl)-hexahydro-5lambda6-thieno[34-d][13]thiazol-2-ylidene]-3-methylbutanamide

SMILES

CC(C)CC(/N=C1/SC(CS(C2)(=O)=O)C2N1CCc1ccccc1)=O

InChI

InChI=1S/C18H24N2O3S2/c1-13(2)10-17(21)19-18-20(9-8-14-6-4-3-5-7-14)15-11-25(22,23)12-16(15)24-18/h3-7,13,15-16H,8-12H2,1-2H3

InChI Key

GLGLDJBTKYPSCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.626

Distribution Coefficient, logD

2.626

Water Solubility, LogSw

-2.92

Polar Surface Area

54.278

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

D128-0609 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

References: we are preparing a list of scientific research reports with D128-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D128-0609?
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What is the minimum amount of D128-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D128-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D128-0609
  • 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 D128-0609 available by request